smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(COc2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3n[nH]c(=S)[n-]3)cc2)c2ccccc2n1 ZINC000003948917 561690298 /nfs/dbraw/zinc/69/02/98/561690298.db2.gz WUGZBWFREMAISJ-LADGPHEKSA-N -1 3 560.680 5.036 1 0 KKAFHM CCOP(=O)(OCC)C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1)P(=O)(OCC)OCC ZINC000003970681 561691657 /nfs/dbraw/zinc/69/16/57/561691657.db2.gz ALHYQQOLVDZAGY-UHFFFAOYSA-N -1 3 631.575 5.154 1 0 KKAFHM O=C(CNc1c(Cl)cccc1Cl)Nc1ccc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2c1[O-] ZINC000005838430 561699167 /nfs/dbraw/zinc/69/91/67/561699167.db2.gz AAHVZBOFTGNEMJ-HXUWFJFHSA-N -1 3 585.296 5.907 1 0 KKAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCC4)nc2)cc1OC ZINC000013491046 561716120 /nfs/dbraw/zinc/71/61/20/561716120.db2.gz YOORTNLCAVPHQO-PMERELPUSA-N -1 3 516.601 5.601 1 0 KKAFHM Cc1cccc(Cl)c1NC(=O)c1ccc2nc([N-]c3cc(CN4CCOCC4)nc(C)n3)sc2c1 ZINC000013536659 561717901 /nfs/dbraw/zinc/71/79/01/561717901.db2.gz FEKWJPQIXYYMIL-UHFFFAOYSA-N -1 3 509.035 5.185 1 0 KKAFHM CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013731117 561725131 /nfs/dbraw/zinc/72/51/31/561725131.db2.gz DGKMIANMJJJSJY-UHFFFAOYSA-N -1 3 507.038 5.730 1 0 KKAFHM CCCCC1=NC(C)(C)C(C(=O)OCC)=C(Cl)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013731117 561725132 /nfs/dbraw/zinc/72/51/32/561725132.db2.gz DGKMIANMJJJSJY-UHFFFAOYSA-N -1 3 507.038 5.730 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013736754 561725609 /nfs/dbraw/zinc/72/56/09/561725609.db2.gz ABXPQQANEFDOLU-UHFFFAOYSA-N -1 3 515.621 5.484 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013736754 561725610 /nfs/dbraw/zinc/72/56/10/561725610.db2.gz ABXPQQANEFDOLU-UHFFFAOYSA-N -1 3 515.621 5.484 1 0 KKAFHM CCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825652 561732991 /nfs/dbraw/zinc/73/29/91/561732991.db2.gz CXMJABJRBRKBAJ-UHFFFAOYSA-N -1 3 502.047 6.072 1 0 KKAFHM CCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825652 561732992 /nfs/dbraw/zinc/73/29/92/561732992.db2.gz CXMJABJRBRKBAJ-UHFFFAOYSA-N -1 3 502.047 6.072 1 0 KKAFHM CC(C)CCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832657 561733470 /nfs/dbraw/zinc/73/34/70/561733470.db2.gz HURXIVMCDOVSPL-UHFFFAOYSA-N -1 3 500.006 5.171 1 0 KKAFHM CC(C)CCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832657 561733472 /nfs/dbraw/zinc/73/34/72/561733472.db2.gz HURXIVMCDOVSPL-UHFFFAOYSA-N -1 3 500.006 5.171 1 0 KKAFHM CCCCc1nn(Cc2ccc3ccccc3c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832707 561733679 /nfs/dbraw/zinc/73/36/79/561733679.db2.gz ASSQJXCGYVVNGG-UHFFFAOYSA-N -1 3 515.621 5.484 1 0 KKAFHM CCCCc1nn(Cc2ccc3ccccc3c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832707 561733680 /nfs/dbraw/zinc/73/36/80/561733680.db2.gz ASSQJXCGYVVNGG-UHFFFAOYSA-N -1 3 515.621 5.484 1 0 KKAFHM CCCCc1nc(-c2ccccc2)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013833898 561733972 /nfs/dbraw/zinc/73/39/72/561733972.db2.gz CAQPCLVGHDITOR-UHFFFAOYSA-N -1 3 506.610 5.965 1 0 KKAFHM CCCCc1nc(-c2ccccc2)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013833898 561733974 /nfs/dbraw/zinc/73/39/74/561733974.db2.gz CAQPCLVGHDITOR-UHFFFAOYSA-N -1 3 506.610 5.965 1 0 KKAFHM CCCCc1nnc([S@@](=O)Cc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000014243905 561738543 /nfs/dbraw/zinc/73/85/43/561738543.db2.gz OITGFXPYRFTDNP-RRHRGVEJSA-N -1 3 575.098 5.063 1 0 KKAFHM CCCCc1nnc([S@@](=O)Cc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000014243905 561738545 /nfs/dbraw/zinc/73/85/45/561738545.db2.gz OITGFXPYRFTDNP-RRHRGVEJSA-N -1 3 575.098 5.063 1 0 KKAFHM C[C@@H](CN1c2ccc(F)cc2CC1(C)C)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2cccc(Cl)c2o1 ZINC000014971618 561751299 /nfs/dbraw/zinc/75/12/99/561751299.db2.gz OTPYWGXRZMJVQO-UUOWRZLLSA-N -1 3 527.084 6.717 1 0 KKAFHM CC(C)(C)c1ccc(CNC(=S)N[C@H](Cc2ccccc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000014973375 561752010 /nfs/dbraw/zinc/75/20/10/561752010.db2.gz QZHYGUFQKPLWOR-RUZDIDTESA-N -1 3 513.704 5.443 1 0 in-vitro KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Br)cc1 ZINC000026146934 561767330 /nfs/dbraw/zinc/76/73/30/561767330.db2.gz KQMVLNJLOLLYRK-SVBPBHIXSA-N -1 3 705.668 8.271 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccc(-c3ccccc3)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026293937 561781035 /nfs/dbraw/zinc/78/10/35/561781035.db2.gz QFGGDXYJZFRNLX-UHFFFAOYSA-N -1 3 582.708 7.317 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccc(-c3ccccc3)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026293937 561781036 /nfs/dbraw/zinc/78/10/36/561781036.db2.gz QFGGDXYJZFRNLX-UHFFFAOYSA-N -1 3 582.708 7.317 1 0 KKAFHM CCCCN(CCCC)C(=O)CCCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026288451 561780214 /nfs/dbraw/zinc/78/02/14/561780214.db2.gz UIDVMENBFYCELV-UHFFFAOYSA-N -1 3 613.807 6.659 1 0 KKAFHM CCCCN(CCCC)C(=O)CCCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026288451 561780216 /nfs/dbraw/zinc/78/02/16/561780216.db2.gz UIDVMENBFYCELV-UHFFFAOYSA-N -1 3 613.807 6.659 1 0 KKAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(NCc3ccncc3)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026403041 561788901 /nfs/dbraw/zinc/78/89/01/561788901.db2.gz IXIFGJYOXXAMLC-HELSZXIZSA-N -1 3 614.486 5.092 1 0 KKAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(C(C)(C)C)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026474238 561790790 /nfs/dbraw/zinc/79/07/90/561790790.db2.gz VXTRLDKZTYWGBH-MUTZGBHFSA-N -1 3 564.466 5.382 1 0 KKAFHM CCCCc1nn(-c2ccccc2Br)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026576026 561799873 /nfs/dbraw/zinc/79/98/73/561799873.db2.gz PSIGSVWJZPKUKH-UHFFFAOYSA-N -1 3 530.430 5.035 1 0 KKAFHM CCCCc1nn(-c2ccccc2Br)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026576026 561799875 /nfs/dbraw/zinc/79/98/75/561799875.db2.gz PSIGSVWJZPKUKH-UHFFFAOYSA-N -1 3 530.430 5.035 1 0 KKAFHM COc1cccc2c(-c3ccc4c(c3)OCO4)cc(-c3cc(-c4ccc5c(c4)OCO5)c4cccc(OC)c4c3O)c([O-])c12 ZINC000026637050 561805862 /nfs/dbraw/zinc/80/58/62/561805862.db2.gz SLVQTOWNRVVEIW-UHFFFAOYSA-N -1 3 586.596 7.880 1 0 KKAFHM Cc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@H]([N-]S(=O)(=O)c2cccs2)C3)c1 ZINC000027523719 561865206 /nfs/dbraw/zinc/86/52/06/561865206.db2.gz MUSVRXWCIMGFPH-XMMPIXPASA-N -1 3 570.658 6.749 1 0 KKAFHM CCOC(=O)C1=C(COCCNc2nc(-c3ccccc3)cc(=O)[n-]2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027652865 561876840 /nfs/dbraw/zinc/87/68/40/561876840.db2.gz SDVGTKDQJCXBRE-BFFRAMDSSA-N -1 3 613.498 5.664 1 0 KKAFHM CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N([O-])CC)c1OCCC ZINC000027712791 561879870 /nfs/dbraw/zinc/87/98/70/561879870.db2.gz BWUAWUAJDLYDIQ-DNQXCXABSA-N -1 3 560.688 6.540 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC ZINC000027712501 561879954 /nfs/dbraw/zinc/87/99/54/561879954.db2.gz TWOSZZZGHRJMJC-FCHUYYIVSA-N -1 3 532.634 6.126 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])CCC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027714713 561880128 /nfs/dbraw/zinc/88/01/28/561880128.db2.gz VKDCKILJFAYCHV-NHCUHLMSSA-N -1 3 518.607 5.736 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C(C)(C)C)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718428 561880410 /nfs/dbraw/zinc/88/04/10/561880410.db2.gz HZDGIIPDZBKNTD-SFTDATJTSA-N -1 3 532.634 6.124 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])CC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027730154 561881311 /nfs/dbraw/zinc/88/13/11/561881311.db2.gz YLGWSTZEZPRBPW-PMACEKPBSA-N -1 3 504.580 5.346 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2oc(=O)oc2C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027736008 561881873 /nfs/dbraw/zinc/88/18/73/561881873.db2.gz UPHSZNNSQCVDIP-UHFFFAOYSA-N -1 3 570.650 5.494 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2oc(=O)oc2C(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027736008 561881875 /nfs/dbraw/zinc/88/18/75/561881875.db2.gz UPHSZNNSQCVDIP-UHFFFAOYSA-N -1 3 570.650 5.494 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)S(C)(=O)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027753752 561883436 /nfs/dbraw/zinc/88/34/36/561883436.db2.gz MRYVHWAJFPNLCW-UHFFFAOYSA-N -1 3 582.730 5.048 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)S(C)(=O)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027753752 561883438 /nfs/dbraw/zinc/88/34/38/561883438.db2.gz MRYVHWAJFPNLCW-UHFFFAOYSA-N -1 3 582.730 5.048 1 0 KKAFHM COc1cc([O-])c2c(cc3c(c2OC)C(=O)[C@H](C)[C@@H](C)O3)c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1 ZINC000027856643 561886664 /nfs/dbraw/zinc/88/66/64/561886664.db2.gz AVVKNYGJSXHIKG-YYIAUSFCSA-N -1 3 616.663 6.608 1 0 KKAFHM O=C(CN1CCOCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028384186 561920662 /nfs/dbraw/zinc/92/06/62/561920662.db2.gz SCJIZEZKRJRLQS-UHFFFAOYSA-N -1 3 590.023 5.995 1 0 KKAFHM C[C@@H]1CN([C@H](c2ccc3c(c2)CN(C(=O)c2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570400 561938767 /nfs/dbraw/zinc/93/87/67/561938767.db2.gz WHLHPAOIEWMCRA-ISVMRZDUSA-N -1 3 575.709 5.931 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2ccc([C@H](C)O[N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028571690 561939535 /nfs/dbraw/zinc/93/95/35/561939535.db2.gz HNCKXBOSPHDIEY-FQEVSTJZSA-N -1 3 616.078 6.401 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2ccc([C@H](C)O[N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028571690 561939538 /nfs/dbraw/zinc/93/95/38/561939538.db2.gz HNCKXBOSPHDIEY-FQEVSTJZSA-N -1 3 616.078 6.401 1 0 KKAFHM Cc1cc(C(=O)NC2CCCCC2)cc2[n-]c(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)nc21 ZINC000028703691 561947860 /nfs/dbraw/zinc/94/78/60/561947860.db2.gz AMKPHWUXNDGLHA-HSZRJFAPSA-N -1 3 520.033 5.088 1 0 KKAFHM Cc1cc(C(=O)NC2CCCCC2)cc2nc(-c3c(=O)[nH]ccc3NC[C@@H](O)c3cccc(Cl)c3)[n-]c21 ZINC000028703691 561947862 /nfs/dbraw/zinc/94/78/62/561947862.db2.gz AMKPHWUXNDGLHA-HSZRJFAPSA-N -1 3 520.033 5.088 1 0 KKAFHM CCCCN(C(=O)c1ccc([O-])cc1)c1ccc2ncn(Cc3ccc(-c4ccccc4-c4nnnn4C)cc3)c(=O)c2c1 ZINC000028768742 561960442 /nfs/dbraw/zinc/96/04/42/561960442.db2.gz AGAKGDNXFKHLQS-UHFFFAOYSA-N -1 3 585.668 5.455 1 0 KKAFHM COc1cc(/C=C/c2cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C2 ZINC000028820054 561965927 /nfs/dbraw/zinc/96/59/27/561965927.db2.gz KFXCPWWUGCRWRS-NRKDNTHDSA-N -1 3 546.748 8.003 1 0 KKAFHM COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000028881495 561976885 /nfs/dbraw/zinc/97/68/85/561976885.db2.gz GICQMHCQNYMKGA-HXUWFJFHSA-N -1 3 507.096 5.083 1 0 KKAFHM COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1[O-] ZINC000028881431 561976913 /nfs/dbraw/zinc/97/69/13/561976913.db2.gz IJHLXAOFDUUINS-FQEVSTJZSA-N -1 3 579.601 5.873 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)cc(I)c1[O-] ZINC000028881655 561976948 /nfs/dbraw/zinc/97/69/48/561976948.db2.gz GYFGVOFZCMUPMZ-NRFANRHFSA-N -1 3 626.601 5.858 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)cc(Br)c1[O-] ZINC000028881624 561977007 /nfs/dbraw/zinc/97/70/07/561977007.db2.gz JCKJYNFLQZJLRW-NRFANRHFSA-N -1 3 579.601 6.016 1 0 KKAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 ZINC000028979545 561988151 /nfs/dbraw/zinc/98/81/51/561988151.db2.gz KPQIAHUXGBJGEW-BWSGXRDBSA-N -1 3 605.134 5.460 1 0 KKAFHM CC(C)Cc1nc(-c2ccccc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)[N-][C@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000029336270 562014428 /nfs/dbraw/zinc/01/44/28/562014428.db2.gz YFNMAILKOUELHL-XDFJSJKPSA-N -1 3 744.888 5.434 1 0 KKAFHM CCCCc1nc2ccc([C@H]3ON4CCC[C@@H]4[C@@H]3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029404671 562020421 /nfs/dbraw/zinc/02/04/21/562020421.db2.gz FYIRUXBRHOVWLN-YZRKUJAWSA-N -1 3 619.726 5.265 1 0 KKAFHM CCCCc1nc2ccc([C@H]3ON4CCC[C@@H]4[C@@H]3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029404671 562020422 /nfs/dbraw/zinc/02/04/22/562020422.db2.gz FYIRUXBRHOVWLN-YZRKUJAWSA-N -1 3 619.726 5.265 1 0 KKAFHM C[C@H](c1cccs1)N(Cc1ccco1)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000033356466 562037219 /nfs/dbraw/zinc/03/72/19/562037219.db2.gz KLGDKPLAQONLHF-WINIVTDRSA-N -1 3 549.674 5.035 1 0 KKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000040764404 562079545 /nfs/dbraw/zinc/07/95/45/562079545.db2.gz SHDHBLVWXCEYRQ-VDUCXAMOSA-N -1 3 536.716 7.652 1 0 KKAFHM CC(C)=CCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1Br)O2 ZINC000043532148 562649303 /nfs/dbraw/zinc/64/93/03/562649303.db2.gz OWWIWQGVNYLVNK-HTWGCYSYSA-N -1 3 586.548 7.206 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2cccc(CO[N+](=O)[O-])n2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000044281741 562653251 /nfs/dbraw/zinc/65/32/51/562653251.db2.gz FRJHBMTZCUBATI-UHFFFAOYSA-N -1 3 603.039 5.235 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2cccc(CO[N+](=O)[O-])n2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000044281741 562653252 /nfs/dbraw/zinc/65/32/52/562653252.db2.gz FRJHBMTZCUBATI-UHFFFAOYSA-N -1 3 603.039 5.235 1 0 KKAFHM S=c1[n-]nc(CO[C@@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000044418308 562657285 /nfs/dbraw/zinc/65/72/85/562657285.db2.gz FROSMPUGYSQYPE-NRFANRHFSA-N -1 3 524.437 5.474 1 0 KKAFHM CCC[C@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000045168028 562658069 /nfs/dbraw/zinc/65/80/69/562658069.db2.gz DBLCUQVRRYATBC-UUOWRZLLSA-N -1 3 504.593 6.452 1 0 KKAFHM CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)Nc1nccs1)[C@@H](CC)c1ccccc1)N([O-])C=O ZINC000045195362 562658894 /nfs/dbraw/zinc/65/88/94/562658894.db2.gz NBZGVPFHHLUSOD-FQUZAXHOSA-N -1 3 528.719 5.363 1 0 KKAFHM O=S(=O)(c1ccccc1)n1ccc2c1cccc2CCOc1cccc(-c2cccc(-c3nnn[n-]3)c2)c1 ZINC000045286463 562660205 /nfs/dbraw/zinc/66/02/05/562660205.db2.gz GAJMKBBISSDTBL-UHFFFAOYSA-N -1 3 521.602 5.347 1 0 KKAFHM O=S(=O)(c1ccccc1)n1ccc2c1cccc2CCOc1cccc(-c2cccc(-c3nn[n-]n3)c2)c1 ZINC000045286463 562660206 /nfs/dbraw/zinc/66/02/06/562660206.db2.gz GAJMKBBISSDTBL-UHFFFAOYSA-N -1 3 521.602 5.347 1 0 KKAFHM Cc1cc2nc(N3C[C@H](C)C[C@@H](C)C3)n(CC(=O)c3cc(C(C)(C)C)c([O-])c(C(C)(C)C)c3)c2cc1C ZINC000045387391 562662426 /nfs/dbraw/zinc/66/24/26/562662426.db2.gz KHKKQMMUVKMKGC-WOJBJXKFSA-N -1 3 503.731 7.319 1 0 KKAFHM Cc1cc2nc(N3C[C@@H](C)C[C@H](C)C3)n(CC(=O)c3cc(C(C)(C)C)c([O-])c(C(C)(C)C)c3)c2cc1C ZINC000045387388 562662430 /nfs/dbraw/zinc/66/24/30/562662430.db2.gz KHKKQMMUVKMKGC-PMACEKPBSA-N -1 3 503.731 7.319 1 0 KKAFHM CC(C)CC[C@H](c1ccc(C(F)(F)F)nn1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045392130 562662543 /nfs/dbraw/zinc/66/25/43/562662543.db2.gz NFHKXFADWULKHK-HBGVWJBISA-N -1 3 517.514 6.920 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049605584 562666089 /nfs/dbraw/zinc/66/60/89/562666089.db2.gz VUYJTWUPEQGKGS-WDYNHAJCSA-N -1 3 559.493 6.901 1 0 KKAFHM O=C(COc1ccc(Cl)cc1)[N-]c1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn21 ZINC000049708360 562670873 /nfs/dbraw/zinc/67/08/73/562670873.db2.gz GJKDVRRUKCQKHE-UHFFFAOYSA-N -1 3 527.972 5.038 1 0 KKAFHM O=C([O-])[C@@]12C[C@@H](OCc3ccccc3)CN1[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000049710643 562671817 /nfs/dbraw/zinc/67/18/17/562671817.db2.gz XLGYEYQAMCYTAF-WSSMQSNTSA-N -1 3 630.322 5.731 1 0 KKAFHM CC(C)(CNC(=O)[C@@H]1CCCN(CCOc2ccc(F)c(F)c2)C1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049710786 562671835 /nfs/dbraw/zinc/67/18/35/562671835.db2.gz FPJZXQZXHGJYIS-JOCHJYFZSA-N -1 3 610.105 5.961 1 0 KKAFHM CN1CCN(c2cccc(-c3cnn4c3ncc(-c3ccc([N-]S(=O)(=O)c5cccc(Cl)c5Cl)cc3)c4N)c2)CC1 ZINC000049777099 562679623 /nfs/dbraw/zinc/67/96/23/562679623.db2.gz MNJJBVNCZHNWCS-UHFFFAOYSA-N -1 3 608.555 5.505 1 0 KKAFHM CN[C@@H](Cn1c(=O)c(-c2cccc(OCCC(C)(C)CC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049833035 562687426 /nfs/dbraw/zinc/68/74/26/562687426.db2.gz IMUUVHRSPPDBTR-MHZLTWQESA-N -1 3 673.679 6.561 1 0 KKAFHM Cc1c(-c2cccc(OCCCCC(=O)[O-])c2F)c(=O)n(C[C@@H](c2ccccc2)N(C)C)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000049898897 562693012 /nfs/dbraw/zinc/69/30/12/562693012.db2.gz NSBUNJVFFBYJER-MHZLTWQESA-N -1 3 659.652 6.267 1 0 KKAFHM C[C@](Cc1ccc(Oc2cc(N3CCN(CC4CCCCC4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000056948322 562697897 /nfs/dbraw/zinc/69/78/97/562697897.db2.gz LBVSRLURJKZCBT-WJOKGBTCSA-N -1 3 545.684 5.018 1 0 KKAFHM Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326907 562702707 /nfs/dbraw/zinc/70/27/07/562702707.db2.gz PIYAMUBGJBRZRS-CQSZACIVSA-N -1 3 558.985 5.736 1 0 KKAFHM CCCCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327396 562702766 /nfs/dbraw/zinc/70/27/66/562702766.db2.gz DRNCGZKHPHZGSG-OAHLLOKOSA-N -1 3 536.016 5.259 1 0 KKAFHM CC(C)=CCC/C=C(\C)Cc1c(OC/C=C(\C)CCC=C(C)C)cc([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000064532217 562707470 /nfs/dbraw/zinc/70/74/70/562707470.db2.gz USQHIFXIVOMDSO-JSGBIKOVSA-N -1 3 526.717 9.472 1 0 KKAFHM CN(CCN1CCOCC1)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099867 562711141 /nfs/dbraw/zinc/71/11/41/562711141.db2.gz XIDPKKCVWSCHRR-XMMPIXPASA-N -1 3 517.670 5.079 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000066139028 562713383 /nfs/dbraw/zinc/71/33/83/562713383.db2.gz VFUMNYRTPAPJFI-RCUDDFTLSA-N -1 3 627.807 5.815 3 0 KKAFHM Cn1c2cc(C(=O)N[C@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCNC3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071333931 562719526 /nfs/dbraw/zinc/71/95/26/562719526.db2.gz HJAAEIUJIWVGHD-KSSBTCCXSA-N -1 3 605.739 5.877 1 0 KKAFHM O=C(C[C@@H]1C[C@@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000072122623 562724584 /nfs/dbraw/zinc/72/45/84/562724584.db2.gz BHEWHBNGLCOXBN-RWIDMMHGSA-N -1 3 618.683 5.120 3 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccccc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073156404 562733813 /nfs/dbraw/zinc/73/38/13/562733813.db2.gz BJRHXSDSVNQOPW-VSGBNLITSA-N -1 3 590.532 7.456 1 0 KKAFHM C[C@@H](C(=O)NCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000073239777 562736826 /nfs/dbraw/zinc/73/68/26/562736826.db2.gz PBVKWGIXRSBAFV-MRXNPFEDSA-N -1 3 521.441 5.856 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000082136659 562739006 /nfs/dbraw/zinc/73/90/06/562739006.db2.gz GJOGVNKXCOLNRU-VSGBNLITSA-N -1 3 658.529 8.475 1 0 KKAFHM COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@H](CCC(=O)[O-])Cc3c[nH]c4ccccc34)cc2OCCc2c[nH]c3ccccc23)cc1 ZINC000084671115 562748442 /nfs/dbraw/zinc/74/84/42/562748442.db2.gz AUVPDASYTNGNGO-CPBHLAHYSA-N -1 3 687.797 5.994 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688294 562749109 /nfs/dbraw/zinc/74/91/09/562749109.db2.gz KBEGAMLYWGDXDB-NHCUHLMSSA-N -1 3 553.389 6.863 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000084689653 562749403 /nfs/dbraw/zinc/74/94/03/562749403.db2.gz NLDNWZLFIYLVPW-LEWJYISDSA-N -1 3 553.389 6.863 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Br)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690632 562749708 /nfs/dbraw/zinc/74/97/08/562749708.db2.gz MEGSHHRTRATOHX-LEWJYISDSA-N -1 3 564.288 6.607 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000095544845 562757937 /nfs/dbraw/zinc/75/79/37/562757937.db2.gz WLPVWRBWBJKZPV-UHFFFAOYSA-N -1 3 784.470 7.553 1 0 KKAFHM COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4CCCC(=O)[O-])CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545512 562758102 /nfs/dbraw/zinc/75/81/02/562758102.db2.gz KVYXGCNCFPIESF-KDXMTYKHSA-N -1 3 751.708 7.003 1 0 KKAFHM COCCOCCOCCOc1cc2c(cc1OC)CCN(CCc1ccc(NC(=O)c3ccc(C(=O)[O-])c(NC(=O)c4ccc5ncccc5c4)c3)cc1)C2 ZINC000095548767 562759462 /nfs/dbraw/zinc/75/94/62/562759462.db2.gz VLEZERHTRVZAQV-UHFFFAOYSA-N -1 3 762.860 6.105 1 0 KKAFHM COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)Oc1c(Br)cc(Br)cc1C=C1SC(=O)[N-]C1=O)OCO3)OCO2 ZINC000095548793 562759486 /nfs/dbraw/zinc/75/94/86/562759486.db2.gz WEKVJVBGBCOZIO-BLLMUTORSA-N -1 3 765.341 5.683 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)c(F)c2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560755 562763172 /nfs/dbraw/zinc/76/31/72/562763172.db2.gz OLYIUSRYRGMOQO-CLYVBNDRSA-N -1 3 517.538 7.660 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCN(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561170 562763299 /nfs/dbraw/zinc/76/32/99/562763299.db2.gz QCZYXTWOIPNMDB-DWXRJYCRSA-N -1 3 500.536 6.036 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095567743 562766029 /nfs/dbraw/zinc/76/60/29/562766029.db2.gz WRONBNMQJZLSIV-RNDKRWLGSA-N -1 3 648.225 6.160 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095568228 562766414 /nfs/dbraw/zinc/76/64/14/562766414.db2.gz HEADYOFXZPTIAZ-BMIZSLGGSA-N -1 3 752.828 6.605 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095568531 562766738 /nfs/dbraw/zinc/76/67/38/562766738.db2.gz AZOGTZJHFHJISV-YGIZDMHFSA-N -1 3 629.779 5.632 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095569049 562767132 /nfs/dbraw/zinc/76/71/32/562767132.db2.gz DEMCBGNJFOTASI-HQLBTAIYSA-N -1 3 638.589 5.214 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569731 562767675 /nfs/dbraw/zinc/76/76/75/562767675.db2.gz DVNKZOFDASKPOO-SUERDDPBSA-N -1 3 806.426 6.903 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095569810 562767733 /nfs/dbraw/zinc/76/77/33/562767733.db2.gz JMGJNBNLVSLZKK-RNDKRWLGSA-N -1 3 631.770 5.646 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095570502 562768276 /nfs/dbraw/zinc/76/82/76/562768276.db2.gz KOTALHGNILEDKF-GLBCCIBASA-N -1 3 748.865 6.774 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095571413 562769020 /nfs/dbraw/zinc/76/90/20/562769020.db2.gz AYYGMCZSFFREOB-UXVOWUFOSA-N -1 3 659.805 5.640 1 0 KKAFHM CN(C)c1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)cs1 ZINC000095571723 562769226 /nfs/dbraw/zinc/76/92/26/562769226.db2.gz XWJNWSQOYVEGOC-LFIBNONCSA-N -1 3 654.837 5.956 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCc1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095577594 562771022 /nfs/dbraw/zinc/77/10/22/562771022.db2.gz XLXAVXBDWDBUBI-CQSZACIVSA-N -1 3 558.985 5.296 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578499 562771253 /nfs/dbraw/zinc/77/12/53/562771253.db2.gz DKCNQAVAFXNUSX-QGZVFWFLSA-N -1 3 628.639 5.768 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccc(F)cn1 ZINC000095580248 562771805 /nfs/dbraw/zinc/77/18/05/562771805.db2.gz LHFGHMPGEMDUSI-CXUHLZMHSA-N -1 3 623.729 5.968 1 0 KKAFHM CCc1nc2ccn(Cc3cccc(C)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095581261 562772136 /nfs/dbraw/zinc/77/21/36/562772136.db2.gz LUULXVDREBHUFH-NDEPHWFRSA-N -1 3 527.632 5.500 1 0 KKAFHM CCc1nc2ccn(Cc3cccc(C)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095581261 562772137 /nfs/dbraw/zinc/77/21/37/562772137.db2.gz LUULXVDREBHUFH-NDEPHWFRSA-N -1 3 527.632 5.500 1 0 KKAFHM O=C(C[C@H]1C[C@@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095598714 562777465 /nfs/dbraw/zinc/77/74/65/562777465.db2.gz BHEWHBNGLCOXBN-DUWKQBIGSA-N -1 3 618.683 5.120 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095598738 562777477 /nfs/dbraw/zinc/77/74/77/562777477.db2.gz KHFPDWFEACXBKS-AWYDNWMNSA-N -1 3 678.251 6.214 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599539 562778183 /nfs/dbraw/zinc/77/81/83/562778183.db2.gz OBZCLBIQAQDRDY-NAJARDBOSA-N -1 3 714.857 5.595 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599975 562778488 /nfs/dbraw/zinc/77/84/88/562778488.db2.gz LGFCYAUQAJYOOY-CYOUBLJMSA-N -1 3 711.869 6.495 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600188 562778711 /nfs/dbraw/zinc/77/87/11/562778711.db2.gz QMCFBRPLMVFDBX-BEAGFIRGSA-N -1 3 740.285 7.087 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600846 562779252 /nfs/dbraw/zinc/77/92/52/562779252.db2.gz XMCNJBIDJBGVOV-YUAZXLJXSA-N -1 3 716.297 5.797 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095602021 562779886 /nfs/dbraw/zinc/77/98/86/562779886.db2.gz FJNSKGNJNIWDNP-OWOAZTCBSA-N -1 3 640.124 5.512 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095602394 562780053 /nfs/dbraw/zinc/78/00/53/562780053.db2.gz BYUWMZXSAAGXAD-IOKPGSKQSA-N -1 3 606.572 5.146 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095602723 562780210 /nfs/dbraw/zinc/78/02/10/562780210.db2.gz ZMUNMDKTHUEIDP-XUKQSAIQSA-N -1 3 645.797 5.575 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603715 562780627 /nfs/dbraw/zinc/78/06/27/562780627.db2.gz VYACBIYDVUCBDQ-CLWPXKJUSA-N -1 3 641.017 5.800 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603721 562780656 /nfs/dbraw/zinc/78/06/56/562780656.db2.gz RXIJSVCALBVVES-YUKNNVIKSA-N -1 3 706.733 6.722 3 0 KKAFHM Clc1ccc(-c2nc3ccccc3c(SCc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)n2)cc1 ZINC000095603984 562780742 /nfs/dbraw/zinc/78/07/42/562780742.db2.gz XBSMIIQHNABJRT-UHFFFAOYSA-N -1 3 507.022 7.090 1 0 KKAFHM Clc1ccc(-c2nc3ccccc3c(SCc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)n2)cc1 ZINC000095603984 562780743 /nfs/dbraw/zinc/78/07/43/562780743.db2.gz XBSMIIQHNABJRT-UHFFFAOYSA-N -1 3 507.022 7.090 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095604540 562781029 /nfs/dbraw/zinc/78/10/29/562781029.db2.gz RPNLMNYQLLWISV-QXXCKKGJSA-N -1 3 740.316 5.396 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000095605106 562781393 /nfs/dbraw/zinc/78/13/93/562781393.db2.gz GTUQXIUJJGJFLR-AOHZZOSCSA-N -1 3 709.832 5.167 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095605166 562781457 /nfs/dbraw/zinc/78/14/57/562781457.db2.gz CBQVGICLIDWTFD-HNMNOHOESA-N -1 3 620.599 5.075 1 0 KKAFHM COc1cc2c(SCc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)nc(CCc3ccccc3)nc2c(OC)c1OC ZINC000095605631 562781634 /nfs/dbraw/zinc/78/16/34/562781634.db2.gz ZHCIBLJHBGYTGD-UHFFFAOYSA-N -1 3 590.709 6.580 1 0 KKAFHM COc1cc2c(SCc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)nc(CCc3ccccc3)nc2c(OC)c1OC ZINC000095605631 562781635 /nfs/dbraw/zinc/78/16/35/562781635.db2.gz ZHCIBLJHBGYTGD-UHFFFAOYSA-N -1 3 590.709 6.580 1 0 KKAFHM COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095782031 562789049 /nfs/dbraw/zinc/78/90/49/562789049.db2.gz URUYPBZFUNKRKA-WRZBRUQPSA-N -1 3 673.898 5.485 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095853129 562789606 /nfs/dbraw/zinc/78/96/06/562789606.db2.gz VESPUZANCIEHEA-NIAOJTHTSA-N -1 3 636.598 5.155 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270895 562793452 /nfs/dbraw/zinc/79/34/52/562793452.db2.gz CAYKUYIDYUAWPI-AWEZNQCLSA-N -1 3 559.969 5.263 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270914 562793559 /nfs/dbraw/zinc/79/35/59/562793559.db2.gz RXHMBUWWKUMPRB-NQIIRXRSSA-N -1 3 646.704 5.589 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cc(Cl)cc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270994 562793671 /nfs/dbraw/zinc/79/36/71/562793671.db2.gz GFFVIKLVMCSSNM-ZDUSSCGKSA-N -1 3 594.414 5.917 1 0 KKAFHM Cc1cc(C[C@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2nc(Br)c(Br)[n-]2)cc2c[nH]nc21 ZINC000096284753 562795365 /nfs/dbraw/zinc/79/53/65/562795365.db2.gz YDKIVDJAESNFLM-NRFANRHFSA-N -1 3 656.383 5.625 1 0 KKAFHM Cc1cc(C[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2nc(Br)c(Br)[n-]2)cc2c[nH]nc21 ZINC000096284754 562795375 /nfs/dbraw/zinc/79/53/75/562795375.db2.gz YDKIVDJAESNFLM-OAQYLSRUSA-N -1 3 656.383 5.625 1 0 KKAFHM Cc1ccc(CSc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096286067 562795987 /nfs/dbraw/zinc/79/59/87/562795987.db2.gz XWUWTUFRVZQVGH-MRXNPFEDSA-N -1 3 555.619 5.632 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286071 562796016 /nfs/dbraw/zinc/79/60/16/562796016.db2.gz ARJVQJZAWVZUKV-OAHLLOKOSA-N -1 3 547.640 5.703 1 0 KKAFHM O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(CNC(=O)c2c[n-]c3cc(C(F)(F)F)ccc3c2=O)cc1 ZINC000096913816 562800409 /nfs/dbraw/zinc/80/04/09/562800409.db2.gz KSGZWLXTUHEARK-UHFFFAOYSA-N -1 3 598.792 6.455 1 0 KKAFHM CC[C@H](Nc1c(=O)c(=O)c1Nc1cccc(C(=O)N(C)C)c1[O-])c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000101124323 562809310 /nfs/dbraw/zinc/80/93/10/562809310.db2.gz SOFYZCVOUACVKD-KRWDZBQOSA-N -1 3 527.499 5.276 1 0 KKAFHM CC[C@H](Nc1c(=O)c(=O)c1Nc1cccc(C(=O)N(C)C)c1[O-])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000101133844 562809400 /nfs/dbraw/zinc/80/94/00/562809400.db2.gz GRJCOLYMBSAOPI-KRWDZBQOSA-N -1 3 527.499 5.276 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccc(F)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103197387 562815907 /nfs/dbraw/zinc/81/59/07/562815907.db2.gz YXIBSAYMMRMRIU-UHFFFAOYSA-N -1 3 533.611 5.623 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccc(F)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103197387 562815908 /nfs/dbraw/zinc/81/59/08/562815908.db2.gz YXIBSAYMMRMRIU-UHFFFAOYSA-N -1 3 533.611 5.623 1 0 KKAFHM Cc1ccc(C[C@@H](CCCSc2ccc(C[NH2+]CCCP(=O)([O-])[O-])cc2)c2cccc(Cl)c2)cc1C ZINC000103256036 562820779 /nfs/dbraw/zinc/82/07/79/562820779.db2.gz HPFWBDIEYOHZTC-AREMUKBSSA-N -1 3 546.113 7.513 1 0 KKAFHM C[C@@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113489099 562826549 /nfs/dbraw/zinc/82/65/49/562826549.db2.gz IWTGCQCBARJVGY-GOSISDBHSA-N -1 3 528.694 5.398 1 0 KKAFHM CN1CCN(CCc2cccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)c2)CC1 ZINC000114037816 562827287 /nfs/dbraw/zinc/82/72/87/562827287.db2.gz KTUQWKGNYHMODK-UHFFFAOYSA-N -1 3 575.540 7.040 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])c(C)c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114358189 562828136 /nfs/dbraw/zinc/82/81/36/562828136.db2.gz CQFUUVZFZUURHY-UHFFFAOYSA-N -1 3 562.638 6.288 1 0 KKAFHM COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000114366614 562828193 /nfs/dbraw/zinc/82/81/93/562828193.db2.gz TZBKVYWYAVLDHH-JGCGQSQUSA-N -1 3 552.631 5.628 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc(C2(C(=O)NCc3ccc(C(F)(F)F)nc3SC3CCCCC3)CCCC2)cc1F ZINC000138734631 562832170 /nfs/dbraw/zinc/83/21/70/562832170.db2.gz UCSLHHRZMGXYCD-UHFFFAOYSA-N -1 3 573.678 6.164 1 0 KKAFHM O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000138846298 562832180 /nfs/dbraw/zinc/83/21/80/562832180.db2.gz WEMMPXLMLSMQAZ-SAOINSJVSA-N -1 3 531.074 5.664 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccccc4)CC3)OC2=O)cc1 ZINC000144590409 562836448 /nfs/dbraw/zinc/83/64/48/562836448.db2.gz QIIINPPKGBRQIC-UHFFFAOYSA-N -1 3 508.578 5.229 1 0 KKAFHM CC(C)(C)c1nc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)s1 ZINC000144647217 562836547 /nfs/dbraw/zinc/83/65/47/562836547.db2.gz OHGHDIYKPHMRTB-UHFFFAOYSA-N -1 3 559.610 6.215 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-c2cc(F)c(F)cc2F)cc1C ZINC000144640163 562836587 /nfs/dbraw/zinc/83/65/87/562836587.db2.gz UCFZRMHYUWCILL-UHFFFAOYSA-N -1 3 554.565 6.168 1 0 KKAFHM CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CN(c4ccc(C(=O)[O-])c(C)c4)C(=O)O3)CC2)c1 ZINC000144691970 562836598 /nfs/dbraw/zinc/83/65/98/562836598.db2.gz FDGWZRYZFUGBNY-UHFFFAOYSA-N -1 3 554.565 6.168 1 0 KKAFHM Cc1ccc(N2CCN(c3cc(C(F)(F)F)ccc3CNC(=O)[C@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)cc1 ZINC000146063330 562838112 /nfs/dbraw/zinc/83/81/12/562838112.db2.gz YOWRVUQLGBUPLP-HXUWFJFHSA-N -1 3 592.659 5.271 1 0 KKAFHM Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc([C@@](C)(O)c4cccc(F)c4[O-])nn23)ccc1C(=O)NC1CC1 ZINC000147487762 562839371 /nfs/dbraw/zinc/83/93/71/562839371.db2.gz DSCYGDOLRIGYLN-MHZLTWQESA-N -1 3 557.548 5.062 1 0 KKAFHM CCOc1nc2cccc(C(=O)N(C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324747 562857439 /nfs/dbraw/zinc/85/74/39/562857439.db2.gz SGOQMZYORGEGHT-UHFFFAOYSA-N -1 3 529.604 5.607 1 0 KKAFHM CCOc1nc2cccc(C(=O)N(C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324747 562857440 /nfs/dbraw/zinc/85/74/40/562857440.db2.gz SGOQMZYORGEGHT-UHFFFAOYSA-N -1 3 529.604 5.607 1 0 KKAFHM CCCCNC(=S)[N-]S(=O)(=O)c1ccc(N2N=C(c3ccc(N(C)C)cc3)C[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000169339736 562860494 /nfs/dbraw/zinc/86/04/94/562860494.db2.gz JOXMSJXZLXVZJJ-HHHXNRCGSA-N -1 3 570.184 5.715 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc([N-]S(=O)(=O)c2cccc(-c3cccs3)c2)cc1F ZINC000169345211 562861515 /nfs/dbraw/zinc/86/15/15/562861515.db2.gz JZHLJSQRMBQYME-UHFFFAOYSA-N -1 3 662.809 6.720 1 0 KKAFHM CC(C)(C)N(CC(=O)N(Cc1ccccc1)C1(C(=O)NCc2ccccc2)CCN(Cc2ccccc2)CC1)C(=O)[O-] ZINC000169348458 562862239 /nfs/dbraw/zinc/86/22/39/562862239.db2.gz LDFQGODONQELFR-UHFFFAOYSA-N -1 3 570.734 5.145 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc([N-]S(=O)(=O)c3cccc(F)c3)c2F)n1 ZINC000169694675 562865511 /nfs/dbraw/zinc/86/55/11/562865511.db2.gz FAGJFBOKLUFLLZ-AWEZNQCLSA-N -1 3 618.066 5.300 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(=O)(=O)c3cccc(F)c3)c2F)n1 ZINC000169694675 562865512 /nfs/dbraw/zinc/86/55/12/562865512.db2.gz FAGJFBOKLUFLLZ-AWEZNQCLSA-N -1 3 618.066 5.300 1 0 KKAFHM CCCCC(CCCC)[C@H]1C(=C([O-])c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694816 562865621 /nfs/dbraw/zinc/86/56/21/562865621.db2.gz DLBSADYRTNZKDY-SVBPBHIXSA-N -1 3 502.611 5.614 1 0 KKAFHM CCCCC(CCCC)[C@H]1C(C(=O)c2ccc(CO)cc2)=C([O-])C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694816 562865622 /nfs/dbraw/zinc/86/56/22/562865622.db2.gz DLBSADYRTNZKDY-SVBPBHIXSA-N -1 3 502.611 5.614 1 0 KKAFHM COCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695992 562865864 /nfs/dbraw/zinc/86/58/64/562865864.db2.gz QEWQEZIOKXTKMW-RRPNLBNLSA-N -1 3 505.636 5.637 1 0 KKAFHM CCOC(=O)C(C)(C)C([O-])=C1C(=O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@H]1c1ccccc1OC ZINC000169696300 562866039 /nfs/dbraw/zinc/86/60/39/562866039.db2.gz YKGYDTALUZSYBL-RPWUZVMVSA-N -1 3 519.619 5.164 1 0 KKAFHM CCOC(=O)C(C)(C)C(=O)C1=C([O-])C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@H]1c1ccccc1OC ZINC000169696300 562866040 /nfs/dbraw/zinc/86/60/40/562866040.db2.gz YKGYDTALUZSYBL-RPWUZVMVSA-N -1 3 519.619 5.164 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696434 562866060 /nfs/dbraw/zinc/86/60/60/562866060.db2.gz RQEOHLMIPYZKQS-IZLXSDGUSA-N -1 3 544.673 5.084 1 0 KKAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C4CCCC4)[C@@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696490 562866124 /nfs/dbraw/zinc/86/61/24/562866124.db2.gz YMQRKYQPAORLQK-DQEYMECFSA-N -1 3 501.583 5.112 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000169696710 562866274 /nfs/dbraw/zinc/86/62/74/562866274.db2.gz DSIOEIMIAFCEJY-XNMGPUDCSA-N -1 3 529.662 5.243 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc2c(OC)ccc(Cl)c12 ZINC000169702651 562868504 /nfs/dbraw/zinc/86/85/04/562868504.db2.gz QBXQKQVPPVLNGN-UHFFFAOYSA-N -1 3 525.001 5.590 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4cc(C(=O)[O-])ccn4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702640 562868506 /nfs/dbraw/zinc/86/85/06/562868506.db2.gz YUDLEZSMWZFNKT-UHFFFAOYSA-N -1 3 549.599 5.375 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202732556 562873838 /nfs/dbraw/zinc/87/38/38/562873838.db2.gz OMTUXUVKGKMPLB-DHIUTWEWSA-N -1 3 583.559 5.799 1 0 KKAFHM CCCC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1 ZINC000219361275 562878089 /nfs/dbraw/zinc/87/80/89/562878089.db2.gz JDPDZAWZHGJQFL-UHFFFAOYSA-N -1 3 536.463 6.445 1 0 KKAFHM CCCn1cc(CN2CCc3cc(S(=O)(=O)[N-]c4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220155577 562878404 /nfs/dbraw/zinc/87/84/04/562878404.db2.gz XFJLWJHBACJSLR-UHFFFAOYSA-N -1 3 538.733 6.304 1 0 KKAFHM CN1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)[N-]c4nccs4)ccc32)CC1 ZINC000225073964 562880660 /nfs/dbraw/zinc/88/06/60/562880660.db2.gz FSRKBKOOPFLURZ-UHFFFAOYSA-N -1 3 529.609 6.502 1 0 KKAFHM CCCCN(CCCC)C(=O)[C@H](C)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000253633446 562882076 /nfs/dbraw/zinc/88/20/76/562882076.db2.gz MUDAUNJNTOHWSU-GLBBNVBASA-N -1 3 524.658 5.083 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@H](C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299831405 562885602 /nfs/dbraw/zinc/88/56/02/562885602.db2.gz BRNKHWSYACFKQC-JXFKEZNVSA-N -1 3 555.638 6.261 1 0 KKAFHM COc1cc(OC)c(-c2cn(-c3ccc([O-])c(C(=O)Nc4cccc(C(F)(F)F)c4)c3)nn2)cc1Cl ZINC000299831605 562885663 /nfs/dbraw/zinc/88/56/63/562885663.db2.gz QZTDTBNGPBWPRP-UHFFFAOYSA-N -1 3 518.879 5.582 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834625 562886524 /nfs/dbraw/zinc/88/65/24/562886524.db2.gz RNWBHMUNVIJXRO-OAHLLOKOSA-N -1 3 527.584 5.624 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299870183 562895455 /nfs/dbraw/zinc/89/54/55/562895455.db2.gz VZAAMCVGJJRSSH-CQSZACIVSA-N -1 3 550.068 5.725 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473158384 562902546 /nfs/dbraw/zinc/90/25/46/562902546.db2.gz WIAXFFNFTIOWHI-AWEZNQCLSA-N -1 3 518.598 5.671 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2C)CC1 ZINC000473183275 562903645 /nfs/dbraw/zinc/90/36/45/562903645.db2.gz VCRREDPIUQOOIB-DYLHXGEVSA-N -1 3 555.506 5.472 1 0 KKAFHM C[C@H](N)C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473198579 562903764 /nfs/dbraw/zinc/90/37/64/562903764.db2.gz PWNHLINSFSHUOG-SNRMKQJTSA-N -1 3 541.067 5.237 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653697131 562907099 /nfs/dbraw/zinc/90/70/99/562907099.db2.gz TVPRVCAJOPWBKP-SFHVURJKSA-N -1 3 700.683 5.705 1 0 KKAFHM Cc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000653700692 562907355 /nfs/dbraw/zinc/90/73/55/562907355.db2.gz FBJLCAQHSGXDHX-NRFANRHFSA-N -1 3 678.730 5.735 1 0 KKAFHM Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(CN3CCOCC3)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653755668 562910896 /nfs/dbraw/zinc/91/08/96/562910896.db2.gz MAFQGCYWUSAODD-UHFFFAOYSA-N -1 3 559.666 6.301 1 0 KKAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@H](O)CSc4ncn(Cc5ccc(Cl)cc5Cl)n4)C3)c(F)cc2c1=O ZINC000653782557 562912212 /nfs/dbraw/zinc/91/22/12/562912212.db2.gz DKZOSCSWYWCMRH-MJGOQNOKSA-N -1 3 682.005 5.095 1 0 KKAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@@H](O)CSc4ncn(Cc5ccc(Cl)c(Cl)c5)n4)C3)c(F)cc2c1=O ZINC000653799393 562913263 /nfs/dbraw/zinc/91/32/63/562913263.db2.gz RQUKMCBLMMCRTB-SJLPKXTDSA-N -1 3 682.005 5.095 1 0 KKAFHM CCCCCC(CCCCC)CC(O)=C([O-])C(=O)CCc1cc(OC)c(O)c([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1 ZINC000085631499 565164692 /nfs/dbraw/zinc/16/46/92/565164692.db2.gz BKHVFIAHNJYSJV-VSCQPYOZSA-N -1 3 658.860 6.471 1 0 biogenic,in-vitro KKAFHM CCC1C=C(c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(=O)c4c([O-])cc(-c5ccc(O)cc5)oc3-4)c2)C=N1 ZINC000103533306 565194612 /nfs/dbraw/zinc/19/46/12/565194612.db2.gz YKMJHJGTSPYINS-UHFFFAOYSA-N -1 3 600.691 7.630 1 0 biogenic,in-vitro KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@]1(C)CC(C)=C[C@@H]2c4c(C)c5c(cc4O[C@](O)([C@@H]3O)[C@H]21)oc1cc(C)cc(O)c15 ZINC000100772785 571816444 /nfs/dbraw/zinc/81/64/44/571816444.db2.gz JCRLYBYVQJKZSH-IZVIRHEUSA-N -1 3 538.596 6.804 1 0 endogenous,in-man KKAFHM CC(C)=CCc1c2c(c([O-])c3c1O[C@@]1(CC=C(C)C)c4ccc(O)cc4O[C@]1(O)C3=O)C=CC(C)(C)O2 ZINC000014690598 291911841 /nfs/dbraw/zinc/91/18/41/291911841.db2.gz PRBVWIBFEQXFCR-XZWHSSHBSA-N -1 3 504.579 5.699 1 0 biogenic,in-vitro KKAFHM O=[S@](Cc1cc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1)c1nc2cscc2[n-]1 ZINC000001492419 561676392 /nfs/dbraw/zinc/67/63/92/561676392.db2.gz NETSEFWQEMFBOV-XIFFEERXSA-N -1 3 505.465 5.944 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(C)c(F)c1 ZINC000003964494 561691417 /nfs/dbraw/zinc/69/14/17/561691417.db2.gz QEEBBVPPVYZDDG-USOMCTOXSA-N -1 3 510.650 5.339 1 0 KKAFHM CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2ccc(Cl)cc2o1 ZINC000006718426 561703122 /nfs/dbraw/zinc/70/31/22/561703122.db2.gz DVIPRUPOWUEFKW-ZCYQVOJMSA-N -1 3 571.093 5.872 1 0 KKAFHM O=Cc1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013493103 561716525 /nfs/dbraw/zinc/71/65/25/561716525.db2.gz UWCZSTHYLRBLJW-MUUNZHRXSA-N -1 3 504.498 5.075 1 0 KKAFHM CN(C)c1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013493111 561716616 /nfs/dbraw/zinc/71/66/16/561716616.db2.gz FIEUMTSYLULJML-GDLZYMKVSA-N -1 3 519.557 5.328 1 0 KKAFHM CCCc1nc2ccc(-c3nc4ccccc4o3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013732090 561725267 /nfs/dbraw/zinc/72/52/67/561725267.db2.gz GZXAWHVPDYMEJL-UHFFFAOYSA-N -1 3 511.589 6.692 1 0 KKAFHM CCCc1nc2ccc(-c3nc4ccccc4o3)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013732090 561725269 /nfs/dbraw/zinc/72/52/69/561725269.db2.gz GZXAWHVPDYMEJL-UHFFFAOYSA-N -1 3 511.589 6.692 1 0 KKAFHM CCCCc1nn(C[C@@H](OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832254 561733621 /nfs/dbraw/zinc/73/36/21/561733621.db2.gz WXKLDJKUANKVBN-HHHXNRCGSA-N -1 3 523.641 5.061 1 0 KKAFHM CCCCc1nn(C[C@@H](OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832254 561733623 /nfs/dbraw/zinc/73/36/23/561733623.db2.gz WXKLDJKUANKVBN-HHHXNRCGSA-N -1 3 523.641 5.061 1 0 KKAFHM CCCCc1nc2ccc(C3=NN4CCCC[C@@H]4C3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014278681 561738961 /nfs/dbraw/zinc/73/89/61/561738961.db2.gz KWMOYHJLSVDONG-RUZDIDTESA-N -1 3 558.690 5.597 1 0 KKAFHM CCCCc1nc2ccc(C3=NN4CCCC[C@@H]4C3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014278681 561738963 /nfs/dbraw/zinc/73/89/63/561738963.db2.gz KWMOYHJLSVDONG-RUZDIDTESA-N -1 3 558.690 5.597 1 0 KKAFHM O=C1OC(c2ccc([O-])c(Br)c2)(c2ccc(O)c(Br)c2)c2c1ccc1ccccc21 ZINC000014968882 561750488 /nfs/dbraw/zinc/75/04/88/561750488.db2.gz XNHOEVIBLJHYQS-UHFFFAOYSA-N -1 3 526.180 6.238 1 0 KKAFHM CCCCc1cn(-c2c(C(C)C)cccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)nc1 ZINC000026004171 561765476 /nfs/dbraw/zinc/76/54/76/561765476.db2.gz POCKOCYKZCNKQZ-UHFFFAOYSA-N -1 3 535.696 6.519 1 0 KKAFHM CCCCc1cn(-c2c(C(C)C)cccc2C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)nc1 ZINC000026004171 561765479 /nfs/dbraw/zinc/76/54/79/561765479.db2.gz POCKOCYKZCNKQZ-UHFFFAOYSA-N -1 3 535.696 6.519 1 0 KKAFHM CCCCc1nc2cc(NC(=O)N(c3ccccc3)c3ccccc3)c(C)nc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026283375 561779414 /nfs/dbraw/zinc/77/94/14/561779414.db2.gz WKPOMGFKFXKABL-UHFFFAOYSA-N -1 3 633.760 8.348 1 0 KKAFHM CCCCc1nc2cc(NC(=O)N(c3ccccc3)c3ccccc3)c(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026283375 561779416 /nfs/dbraw/zinc/77/94/16/561779416.db2.gz WKPOMGFKFXKABL-UHFFFAOYSA-N -1 3 633.760 8.348 1 0 KKAFHM O=CN([O-])[C@H](CSc1cccs1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000026387652 561784953 /nfs/dbraw/zinc/78/49/53/561784953.db2.gz SZXOIWIFZQPGPC-OAHLLOKOSA-N -1 3 533.571 5.221 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C=Cc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026398577 561787753 /nfs/dbraw/zinc/78/77/53/561787753.db2.gz VLRRSKNTCAPWDG-LVZFUZTISA-N -1 3 600.635 5.701 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C=Cc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026398577 561787754 /nfs/dbraw/zinc/78/77/54/561787754.db2.gz VLRRSKNTCAPWDG-LVZFUZTISA-N -1 3 600.635 5.701 1 0 KKAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(C(C)(C)C)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026474230 561790765 /nfs/dbraw/zinc/79/07/65/561790765.db2.gz VXTRLDKZTYWGBH-QTANXNOISA-N -1 3 564.466 5.382 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579772 561805181 /nfs/dbraw/zinc/80/51/81/561805181.db2.gz ARCDKRKGQBSIQE-HKBQPEDESA-N -1 3 601.711 5.977 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579772 561805183 /nfs/dbraw/zinc/80/51/83/561805183.db2.gz ARCDKRKGQBSIQE-HKBQPEDESA-N -1 3 601.711 5.977 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)C(C)(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026647584 561807777 /nfs/dbraw/zinc/80/77/77/561807777.db2.gz UFPQMGXSGYOSRF-WJOKGBTCSA-N -1 3 599.739 6.641 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)C(C)(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026647584 561807779 /nfs/dbraw/zinc/80/77/79/561807779.db2.gz UFPQMGXSGYOSRF-WJOKGBTCSA-N -1 3 599.739 6.641 1 0 KKAFHM COc1cccc2c(-c3cccs3)cc(-c3cc(-c4cccs4)c4cccc(OC)c4c3O)c([O-])c12 ZINC000026649326 561808114 /nfs/dbraw/zinc/80/81/14/561808114.db2.gz RPZBHQBUDQTEMV-UHFFFAOYSA-N -1 3 510.636 8.545 1 0 KKAFHM O=C1C[C@H](c2ccc(C(F)(F)F)cc2)Cc2[n-]c3c(Br)cc(Br)cc3c(=O)c21 ZINC000027083474 561835613 /nfs/dbraw/zinc/83/56/13/561835613.db2.gz UNIYTXODNXTZKD-SNVBAGLBSA-N -1 3 515.123 5.985 1 0 KKAFHM CCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027182072 561841884 /nfs/dbraw/zinc/84/18/84/561841884.db2.gz MDLIBZBBWOHMGF-UHFFFAOYSA-N -1 3 560.580 6.458 1 0 KKAFHM CCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027182072 561841885 /nfs/dbraw/zinc/84/18/85/561841885.db2.gz MDLIBZBBWOHMGF-UHFFFAOYSA-N -1 3 560.580 6.458 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)c(F)c1 ZINC000027315535 561851529 /nfs/dbraw/zinc/85/15/29/561851529.db2.gz SVAMJINLNAHCIL-RKJPZGCHSA-N -1 3 524.677 5.593 1 0 KKAFHM CCCCc1nc2ccc(N3CCCCS3(=O)=O)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027330015 561854681 /nfs/dbraw/zinc/85/46/81/561854681.db2.gz SQVLPIKGPBGVCG-UHFFFAOYSA-N -1 3 541.681 5.204 1 0 KKAFHM CCCCc1nc2ccc(N3CCCCS3(=O)=O)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027330015 561854682 /nfs/dbraw/zinc/85/46/82/561854682.db2.gz SQVLPIKGPBGVCG-UHFFFAOYSA-N -1 3 541.681 5.204 1 0 KKAFHM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2N2[N-]C(c3ccccc3)=N[S@@]2=O)cc1 ZINC000027517723 561861398 /nfs/dbraw/zinc/86/13/98/561861398.db2.gz CWBLZOFHSHWZSA-KXQOOQHDSA-N -1 3 520.662 5.676 1 0 KKAFHM Cc1cc(C)c(-c2ccc(C(F)(F)F)cc2)c(C(=O)Nc2ccc3c(c2)C[C@@H]([N-]S(=O)(=O)c2cccs2)C3)c1 ZINC000027523718 561865183 /nfs/dbraw/zinc/86/51/83/561865183.db2.gz MUSVRXWCIMGFPH-DEOSSOPVSA-N -1 3 570.658 6.749 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])[C@H](C)CC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718583 561880399 /nfs/dbraw/zinc/88/03/99/561880399.db2.gz APPWRAFBZLNNIZ-WTNAPCKOSA-N -1 3 532.634 6.124 1 0 KKAFHM CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N([O-])C(=O)NCC)c1OCCC ZINC000027719405 561880486 /nfs/dbraw/zinc/88/04/86/561880486.db2.gz MIBVGBRWIKDNMU-FGZHOGPDSA-N -1 3 532.634 5.808 1 0 KKAFHM CCOC(=O)Cc1ccc(NC(=O)[N-]c2nc3nn(CC4CCCCC4)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000028117985 561904079 /nfs/dbraw/zinc/90/40/79/561904079.db2.gz AGNCVKHAYLNUQN-UHFFFAOYSA-N -1 3 542.600 5.064 1 0 KKAFHM O=C(Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1)OCc1ccccc1 ZINC000028337546 561913626 /nfs/dbraw/zinc/91/36/26/561913626.db2.gz SWVXQUCEXDXWHP-GLDPYIMESA-N -1 3 517.072 5.622 1 0 KKAFHM C[C@]1(C2CCCC2)Cc2cc(OCCCOc3ccc(-c4nnn[n-]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028343028 561914373 /nfs/dbraw/zinc/91/43/73/561914373.db2.gz LEAKWMBYOQBYEK-RUZDIDTESA-N -1 3 501.414 5.957 1 0 KKAFHM C[C@]1(C2CCCC2)Cc2cc(OCCCOc3ccc(-c4nn[n-]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028343028 561914375 /nfs/dbraw/zinc/91/43/75/561914375.db2.gz LEAKWMBYOQBYEK-RUZDIDTESA-N -1 3 501.414 5.957 1 0 KKAFHM CN1CCN(CCC(=O)Nc2ccc(Sc3c(=O)[nH]c4ccc(C(F)(F)F)cc4c3-c3cc(Cl)ccc3[O-])cc2)CC1 ZINC000028382463 561920360 /nfs/dbraw/zinc/92/03/60/561920360.db2.gz LIERLSCNSFKFOL-UHFFFAOYSA-N -1 3 617.093 6.300 1 0 KKAFHM Cc1ccccc1C(=O)c1csc(NCCC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000028396346 561923200 /nfs/dbraw/zinc/92/32/00/561923200.db2.gz OJBJPKNOXBHZGJ-UHFFFAOYSA-N -1 3 517.982 5.135 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)CCCCO[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028461352 561925290 /nfs/dbraw/zinc/92/52/90/561925290.db2.gz CCALZSTUWJROFY-UHFFFAOYSA-N -1 3 568.034 5.196 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)CCCCO[N+](=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028461352 561925291 /nfs/dbraw/zinc/92/52/91/561925291.db2.gz CCALZSTUWJROFY-UHFFFAOYSA-N -1 3 568.034 5.196 1 0 KKAFHM Nc1nc(NCC2CCC(C[N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 ZINC000028520615 561928972 /nfs/dbraw/zinc/92/89/72/561928972.db2.gz MHEKDRNEOKTABI-UHFFFAOYSA-N -1 3 588.450 5.070 1 0 KKAFHM O=S(=O)([N-]C1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F ZINC000028523469 561930135 /nfs/dbraw/zinc/93/01/35/561930135.db2.gz YOETZAQSYUEALD-UHFFFAOYSA-N -1 3 559.408 5.240 1 0 KKAFHM O=C([O-])CN1CCN(Cc2ccc3c(c2)sc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)c3Cl)CC1 ZINC000028713115 561953726 /nfs/dbraw/zinc/95/37/26/561953726.db2.gz HJYCQWMDGTUWII-UHFFFAOYSA-N -1 3 631.969 6.568 1 0 KKAFHM CCCCc1nc2ccc(N(C)C(=O)OCc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028758976 561957487 /nfs/dbraw/zinc/95/74/87/561957487.db2.gz ZEBMZWJEQNVROC-UHFFFAOYSA-N -1 3 599.695 6.408 1 0 KKAFHM CCCCc1nc2ccc(N(C)C(=O)OCc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028758976 561957489 /nfs/dbraw/zinc/95/74/89/561957489.db2.gz ZEBMZWJEQNVROC-UHFFFAOYSA-N -1 3 599.695 6.408 1 0 KKAFHM COc1ccc(-c2nc3cc(C4=NN(Cc5ccc(-c6ccccc6-c6nnn[n-]6)cc5)C(=O)C[C@H]4C)ccc3[nH]2)cc1 ZINC000028755493 561955637 /nfs/dbraw/zinc/95/56/37/561955637.db2.gz BLOPDJCCPUCMPV-HXUWFJFHSA-N -1 3 568.641 5.858 1 0 KKAFHM COc1ccc(-c2nc3cc(C4=NN(Cc5ccc(-c6ccccc6-c6nn[n-]n6)cc5)C(=O)C[C@H]4C)ccc3[nH]2)cc1 ZINC000028755493 561955639 /nfs/dbraw/zinc/95/56/39/561955639.db2.gz BLOPDJCCPUCMPV-HXUWFJFHSA-N -1 3 568.641 5.858 1 0 KKAFHM CCCCc1nc2cc(C3=NN(Cc4ccc(-c5ccccc5-c5nnn[n-]5)cc4)C(=O)C[C@@H]3C)ccc2[nH]1 ZINC000028757875 561957159 /nfs/dbraw/zinc/95/71/59/561957159.db2.gz MCDTVGVGWHNVSX-IBGZPJMESA-N -1 3 518.625 5.525 1 0 KKAFHM CCCCc1nc2cc(C3=NN(Cc4ccc(-c5ccccc5-c5nn[n-]n5)cc4)C(=O)C[C@@H]3C)ccc2[nH]1 ZINC000028757875 561957161 /nfs/dbraw/zinc/95/71/61/561957161.db2.gz MCDTVGVGWHNVSX-IBGZPJMESA-N -1 3 518.625 5.525 1 0 KKAFHM COc1ccc([N-]c2nnc(CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000028823394 561967973 /nfs/dbraw/zinc/96/79/73/561967973.db2.gz GIPJDVJDKCZWOC-UHFFFAOYSA-N -1 3 573.380 6.543 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)cc(Cl)c1[O-] ZINC000028881574 561976988 /nfs/dbraw/zinc/97/69/88/561976988.db2.gz AXSZCAAXZUUCMR-NRFANRHFSA-N -1 3 535.150 5.907 1 0 KKAFHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-][C@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O ZINC000029125939 561998176 /nfs/dbraw/zinc/99/81/76/561998176.db2.gz VWNBZZJKCBSQBK-QFIPXVFZSA-N -1 3 607.150 5.547 1 0 KKAFHM Cn1c2cc(SCCC[NH+]3CCCC3)c([O-])cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O ZINC000029126892 561999101 /nfs/dbraw/zinc/99/91/01/561999101.db2.gz CKKMGSZIYBJNAZ-UHFFFAOYSA-N -1 3 520.054 5.819 1 0 KKAFHM Cc1nc2ccc(N(Cc3ccccc3Cl)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029249485 562011073 /nfs/dbraw/zinc/01/10/73/562011073.db2.gz ZCCXMCOHAPWJOK-UHFFFAOYSA-N -1 3 638.131 7.101 1 0 KKAFHM Cc1nc2ccc(N(Cc3ccccc3Cl)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029249485 562011074 /nfs/dbraw/zinc/01/10/74/562011074.db2.gz ZCCXMCOHAPWJOK-UHFFFAOYSA-N -1 3 638.131 7.101 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@H](OC(=O)C(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029314996 562012287 /nfs/dbraw/zinc/01/22/87/562012287.db2.gz IPZGLXGNRHBOGW-YTTGMZPUSA-N -1 3 618.138 6.390 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@H](OC(=O)C(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029314996 562012288 /nfs/dbraw/zinc/01/22/88/562012288.db2.gz IPZGLXGNRHBOGW-YTTGMZPUSA-N -1 3 618.138 6.390 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@@H](OC(=O)C(C)(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029314982 562012364 /nfs/dbraw/zinc/01/23/64/562012364.db2.gz AIVPIRWTOPDAEO-HKBQPEDESA-N -1 3 632.165 6.780 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@@H](OC(=O)C(C)(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029314982 562012365 /nfs/dbraw/zinc/01/23/65/562012365.db2.gz AIVPIRWTOPDAEO-HKBQPEDESA-N -1 3 632.165 6.780 1 0 KKAFHM CC(C)Cc1nc(-c2ccccc2)cn2c(CC(=O)N[C@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)[N-][C@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000029336262 562014358 /nfs/dbraw/zinc/01/43/58/562014358.db2.gz YFNMAILKOUELHL-XLJNKUFUSA-N -1 3 744.888 5.434 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029406501 562020841 /nfs/dbraw/zinc/02/08/41/562020841.db2.gz NNHGYVXNLBIDPA-RNAHPLFWSA-N -1 3 575.717 6.254 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029406501 562020842 /nfs/dbraw/zinc/02/08/42/562020842.db2.gz NNHGYVXNLBIDPA-RNAHPLFWSA-N -1 3 575.717 6.254 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CCCO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029414040 562022392 /nfs/dbraw/zinc/02/23/92/562022392.db2.gz VPVDWYJURQJUOC-MHZLTWQESA-N -1 3 506.610 5.486 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CCCO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029414040 562022394 /nfs/dbraw/zinc/02/23/94/562022394.db2.gz VPVDWYJURQJUOC-MHZLTWQESA-N -1 3 506.610 5.486 1 0 KKAFHM CCCC1(CCC)CC(=O)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029469373 562025144 /nfs/dbraw/zinc/02/51/44/562025144.db2.gz WWJXFJIRUDOMQA-HAVVHWLPSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCC1(CCC)CC(=O)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029469373 562025146 /nfs/dbraw/zinc/02/51/46/562025146.db2.gz WWJXFJIRUDOMQA-HAVVHWLPSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCCC[C@]1(C)CC(=O)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029472334 562025821 /nfs/dbraw/zinc/02/58/21/562025821.db2.gz GJHMKSCEQXDVEW-HXDOWBTDSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCCC[C@]1(C)CC(=O)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029472334 562025822 /nfs/dbraw/zinc/02/58/22/562025822.db2.gz GJHMKSCEQXDVEW-HXDOWBTDSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4CCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029483374 562027737 /nfs/dbraw/zinc/02/77/37/562027737.db2.gz HFSBXIQXFLGAIT-ZVAUBVARSA-N -1 3 561.690 5.721 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4CCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029483374 562027739 /nfs/dbraw/zinc/02/77/39/562027739.db2.gz HFSBXIQXFLGAIT-ZVAUBVARSA-N -1 3 561.690 5.721 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3[C@@H]4C(=O)OC[C@@H]4ON3Cc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029488704 562028960 /nfs/dbraw/zinc/02/89/60/562028960.db2.gz QAJPSJBFQOHNJI-RRKBCBNCSA-N -1 3 653.743 5.665 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3[C@@H]4C(=O)OC[C@@H]4ON3Cc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029488704 562028961 /nfs/dbraw/zinc/02/89/61/562028961.db2.gz QAJPSJBFQOHNJI-RRKBCBNCSA-N -1 3 653.743 5.665 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)cc1 ZINC000029567067 562034690 /nfs/dbraw/zinc/03/46/90/562034690.db2.gz JHWCHXXLRPDJJT-SVBPBHIXSA-N -1 3 661.217 8.162 1 0 KKAFHM CCCC[C@H]1N(C)c2ccc(C(C)(C)OC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222171 562051534 /nfs/dbraw/zinc/05/15/34/562051534.db2.gz BWGYVCLWDPCSHM-NDEPHWFRSA-N -1 3 524.669 6.024 1 0 KKAFHM CCCC[C@H]1N(C)c2ccc(C(C)(C)OC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222171 562051536 /nfs/dbraw/zinc/05/15/36/562051536.db2.gz BWGYVCLWDPCSHM-NDEPHWFRSA-N -1 3 524.669 6.024 1 0 KKAFHM CCCC[C@@H]1Nc2ccc(Cc3ccccc3)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222179 562051672 /nfs/dbraw/zinc/05/16/72/562051672.db2.gz JPMGTDCYJGXONH-WJOKGBTCSA-N -1 3 528.660 6.709 1 0 KKAFHM CCCC[C@@H]1Nc2ccc(Cc3ccccc3)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222179 562051673 /nfs/dbraw/zinc/05/16/73/562051673.db2.gz JPMGTDCYJGXONH-WJOKGBTCSA-N -1 3 528.660 6.709 1 0 KKAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])c(CC=C(C)C)c(OC)cc3O2)c(C/C=C(\C)CCC=C(C)C)c1OC ZINC000040379851 562073455 /nfs/dbraw/zinc/07/34/55/562073455.db2.gz CLFBWSAWMMKPPY-IODSTIJBSA-N -1 3 534.693 7.868 1 0 KKAFHM O=c1cc(-c2ccc(O)cc2)oc2cc(Oc3ccc4oc(-c5ccc(O)cc5[O-])cc(=O)c4c3)ccc12 ZINC000040875086 562082029 /nfs/dbraw/zinc/08/20/29/562082029.db2.gz SOQATKDCKCMASB-UHFFFAOYSA-N -1 3 506.466 6.143 1 0 KKAFHM CCOC(=O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000040428886 562076608 /nfs/dbraw/zinc/07/66/08/562076608.db2.gz LXOLFUQBSHDYJD-UKILVPOCSA-N -1 3 536.648 5.219 1 0 KKAFHM CCOC(=O)C[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000040428888 562076612 /nfs/dbraw/zinc/07/66/12/562076612.db2.gz LXOLFUQBSHDYJD-ILBGXUMGSA-N -1 3 536.648 5.219 1 0 KKAFHM CCC[C@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000040503707 562077450 /nfs/dbraw/zinc/07/74/50/562077450.db2.gz LOCBLQJJQNFLIP-PMERELPUSA-N -1 3 514.633 6.323 1 0 KKAFHM CCC[C@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000040503707 562077452 /nfs/dbraw/zinc/07/74/52/562077452.db2.gz LOCBLQJJQNFLIP-PMERELPUSA-N -1 3 514.633 6.323 1 0 KKAFHM CCCCc1nc2ccc([C@@H](O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000040791335 562079882 /nfs/dbraw/zinc/07/98/82/562079882.db2.gz VPYMDXUSIYFZJY-MUUNZHRXSA-N -1 3 522.653 5.714 1 0 KKAFHM CCCCc1nc2ccc([C@@H](O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000040791335 562079883 /nfs/dbraw/zinc/07/98/83/562079883.db2.gz VPYMDXUSIYFZJY-MUUNZHRXSA-N -1 3 522.653 5.714 1 0 KKAFHM CC(C)CCN(Cc1ccc(F)c(F)c1)Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@@H](CC(C)C)C(=O)[O-])c1 ZINC000043205307 562646987 /nfs/dbraw/zinc/64/69/87/562646987.db2.gz LLGFXWBVMOKSFP-MUUNZHRXSA-N -1 3 561.635 8.913 1 0 KKAFHM COc1cc2c3cc(C)c4c(c3[nH]c2c(-c2c3[nH]c5c(cc(C)c6c5C=CC(C)(C)O6)c3cc(OC)c2O)c1[O-])C=CC(C)(C)O4 ZINC000044247305 562652737 /nfs/dbraw/zinc/65/27/37/562652737.db2.gz DQRAEENKHHFBHV-UHFFFAOYSA-N -1 3 616.714 9.036 1 0 KKAFHM COc1cc([O-])c([C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@H](c3ccc(O)cc3)C2)c2c1C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC000044305748 562653546 /nfs/dbraw/zinc/65/35/46/562653546.db2.gz JHPJOKVLYIDVMB-QJOBHVHVSA-N -1 3 582.649 6.861 1 0 biogenic,in-vitro KKAFHM O=C1C[C@@H](c2ccccc2)Oc2c1c([O-])cc1c2[C@@H]2C[C@@H](CCCC(=O)O1)O[C@@](O)(/C=C/c1ccccc1)C2 ZINC000044387590 562656163 /nfs/dbraw/zinc/65/61/63/562656163.db2.gz OBHPJLGLCYCFQD-BPIPNUHISA-N -1 3 526.585 5.853 1 0 KKAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)c(CCCCn4cccc4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000044406574 562656899 /nfs/dbraw/zinc/65/68/99/562656899.db2.gz DINSXJJJIFOZAB-UHFFFAOYSA-N -1 3 528.008 5.521 1 0 KKAFHM O=c1oc(-c2ccc(O)cc2)cn2cc(-c3ccc([O-])c(I)c3)c(-c3ccc(O)cc3)c12 ZINC000044417659 562657173 /nfs/dbraw/zinc/65/71/73/562657173.db2.gz VCJNERXEMOVASY-UHFFFAOYSA-N -1 3 537.309 5.615 1 0 KKAFHM CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@@H](C(=O)Nc1nccs1)[C@H](CC)c1ccccc1)N([O-])C=O ZINC000045195368 562658860 /nfs/dbraw/zinc/65/88/60/562658860.db2.gz NBZGVPFHHLUSOD-ZKGSSEMHSA-N -1 3 528.719 5.363 1 0 KKAFHM COc1ccc(-c2cc(C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H]3CCCc4ccccc43)ccc2[O-])cc1 ZINC000045195509 562658877 /nfs/dbraw/zinc/65/88/77/562658877.db2.gz LZBVDKFRCXYWSL-KYJUHHDHSA-N -1 3 526.677 6.330 1 0 KKAFHM CC[C@H]1[C@@H](C)N(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c([O-])c(C(C)(C)C)c2)C[C@H]1C ZINC000045368782 562662144 /nfs/dbraw/zinc/66/21/44/562662144.db2.gz UJYZSAKJRRAVME-CQOQZXRMSA-N -1 3 517.758 7.707 1 0 KKAFHM CCCCCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(CC(C)(C)NCC(F)(F)F)cc2)cc1 ZINC000049014424 562663256 /nfs/dbraw/zinc/66/32/56/562663256.db2.gz FREWZNFEVLZFRS-UHFFFAOYSA-N -1 3 528.641 5.662 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049626801 562667354 /nfs/dbraw/zinc/66/73/54/562667354.db2.gz XJYGKQLNURUKQG-SANMLTNESA-N -1 3 546.539 6.037 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCCN1CCCCC1)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000049650022 562667946 /nfs/dbraw/zinc/66/79/46/562667946.db2.gz SOHVMVSZLPHQAP-SANMLTNESA-N -1 3 539.598 5.021 1 0 KKAFHM CCCCc1ncc(COC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000049710210 562671590 /nfs/dbraw/zinc/67/15/90/562671590.db2.gz MNJMLCXSLBFGDW-BHVANESWSA-N -1 3 620.754 6.579 1 0 KKAFHM CCCCc1ncc(COC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000049710210 562671591 /nfs/dbraw/zinc/67/15/91/562671591.db2.gz MNJMLCXSLBFGDW-BHVANESWSA-N -1 3 620.754 6.579 1 0 KKAFHM CC(C)(CNC(=O)C1CCN(CCOc2ccc(F)c(F)c2)CC1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049722832 562672594 /nfs/dbraw/zinc/67/25/94/562672594.db2.gz GXTVZAVNOAHWGN-UHFFFAOYSA-N -1 3 610.105 5.961 1 0 KKAFHM CC(C)(CNC(=O)C1CCN(CCOc2ccc(F)c(F)c2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049722832 562672595 /nfs/dbraw/zinc/67/25/95/562672595.db2.gz GXTVZAVNOAHWGN-UHFFFAOYSA-N -1 3 610.105 5.961 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)ncnc2Nc1ccc(-c2nc3ccccc3s2)c([O-])c1 ZINC000049768156 562677863 /nfs/dbraw/zinc/67/78/63/562677863.db2.gz NQHMMDRPRXVCLT-UHFFFAOYSA-N -1 3 556.692 5.381 1 0 KKAFHM CC1(C)C[C@@H](NC(=O)c2ccccc2[O-])c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049783915 562683313 /nfs/dbraw/zinc/68/33/13/562683313.db2.gz SWTYJFXTOTYOGR-XMMPIXPASA-N -1 3 553.873 8.114 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326900 562702725 /nfs/dbraw/zinc/70/27/25/562702725.db2.gz CCIUYVYJAAKTQZ-LBPRGKRZSA-N -1 3 547.933 5.490 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=C(c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060329089 562702891 /nfs/dbraw/zinc/70/28/91/562702891.db2.gz IYQFCGUDRHCJNH-QGZVFWFLSA-N -1 3 594.606 5.464 1 0 KKAFHM COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000064447149 562705338 /nfs/dbraw/zinc/70/53/38/562705338.db2.gz CDMZVEYFVXRTRW-FQEVSTJZSA-N -1 3 504.067 5.459 1 0 KKAFHM COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1[O-] ZINC000064453619 562705667 /nfs/dbraw/zinc/70/56/67/562705667.db2.gz LJZDTCSBJNWERC-FQEVSTJZSA-N -1 3 595.518 5.410 1 0 KKAFHM O=C(N[C@@H](COCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1)OCC1c2ccccc2-c2ccccc21 ZINC000064528349 562707336 /nfs/dbraw/zinc/70/73/36/562707336.db2.gz ARWNDZLEBIINTI-LQJZCPKCSA-N -1 3 614.702 5.861 1 0 KKAFHM CC(=O)Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(C(C)(C)C)cc4)c3)cc2s1 ZINC000071318235 562718473 /nfs/dbraw/zinc/71/84/73/562718473.db2.gz GPYZSWHMVWHHIR-UHFFFAOYSA-N -1 3 515.060 6.068 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@H](C)OC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072113316 562722336 /nfs/dbraw/zinc/72/23/36/562722336.db2.gz OOMYEOHGVHHTBY-OAQYLSRUSA-N -1 3 594.672 5.318 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@H](C)OC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072113316 562722337 /nfs/dbraw/zinc/72/23/37/562722337.db2.gz OOMYEOHGVHHTBY-OAQYLSRUSA-N -1 3 594.672 5.318 1 0 KKAFHM CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118353 562723489 /nfs/dbraw/zinc/72/34/89/562723489.db2.gz FGKVPTCDGUZIOC-AHWVRZQESA-N -1 3 552.071 5.047 1 0 KKAFHM CC(C)=CCC/C(C)=C/COc1c(=O)c2c([O-])cc(-c3ccccc3)oc-2c(C/C=C(\C)CCC=C(C)C)c1OC/C=C(\C)CCC=C(C)C ZINC000072129934 562726623 /nfs/dbraw/zinc/72/66/23/562726623.db2.gz AKRUBPNAGFPFMZ-SIJAYTPOSA-N -1 3 678.954 12.544 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000072134063 562727115 /nfs/dbraw/zinc/72/71/15/562727115.db2.gz CBAAPWVHONFTKW-OMFJNPMTSA-N -1 3 724.843 6.039 3 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000072140876 562729219 /nfs/dbraw/zinc/72/92/19/562729219.db2.gz JXVCNLJRMRUZKV-MJZSVGSSSA-N -1 3 681.852 5.144 3 0 KKAFHM O=S(=O)([N-]c1ccc2c(c1)c1cnccc1n2S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000072149507 562730087 /nfs/dbraw/zinc/73/00/87/562730087.db2.gz XDXIZYSAZWQXMZ-UHFFFAOYSA-N -1 3 621.332 5.752 1 0 KKAFHM O=P(Oc1ccccc1)(Oc1ccccc1)C([N-]c1cccc2ncsc21)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000072182899 562732896 /nfs/dbraw/zinc/73/28/96/562732896.db2.gz XCRUAXLYMSRYHI-UHFFFAOYSA-N -1 3 628.583 9.694 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC(C)(C)C)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073139763 562733488 /nfs/dbraw/zinc/73/34/88/562733488.db2.gz UXCCSGPJGOHOLI-RPBOFIJWSA-N -1 3 570.542 7.302 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC(C)(C)C)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073139761 562733513 /nfs/dbraw/zinc/73/35/13/562733513.db2.gz UXCCSGPJGOHOLI-DQEYMECFSA-N -1 3 570.542 7.302 1 0 KKAFHM Cc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000073165023 562734379 /nfs/dbraw/zinc/73/43/79/562734379.db2.gz MCUUHFLEFBJLQG-UHFFFAOYSA-N -1 3 616.489 6.739 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(Br)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000082136625 562738950 /nfs/dbraw/zinc/73/89/50/562738950.db2.gz QFNQCJBNRKDDAS-VSGBNLITSA-N -1 3 669.428 8.219 1 0 KKAFHM COc1cc(/C=C/c2ccc3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc([O-])c1C/C=C(\C)CCC=C(C)C ZINC000082152947 562740095 /nfs/dbraw/zinc/74/00/95/562740095.db2.gz UHULUIHJLPCNHD-ZRIZNVNDSA-N -1 3 530.749 8.297 1 0 KKAFHM Cc1cn2c(-c3cnn(Cc4nc(-c5ccccc5)no4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084632651 562745578 /nfs/dbraw/zinc/74/55/78/562745578.db2.gz KBEMBPBFYDFWAD-UHFFFAOYSA-N -1 3 552.668 5.186 1 0 KKAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc2ccccc2c1 ZINC000084668801 562747734 /nfs/dbraw/zinc/74/77/34/562747734.db2.gz FPMOHQKBQJPYJS-WEZIJMHWSA-N -1 3 617.702 5.449 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687668 562749005 /nfs/dbraw/zinc/74/90/05/562749005.db2.gz CIUSCLQUSDSXLH-LEWJYISDSA-N -1 3 503.382 5.983 1 0 KKAFHM CCc1c(CCN2CC(C(=O)[O-])C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000084688162 562749112 /nfs/dbraw/zinc/74/91/12/562749112.db2.gz MTKMTTFAUUNPOK-UHFFFAOYSA-N -1 3 519.589 5.799 1 0 KKAFHM COC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)c2cc(Cl)ccc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690026 562749466 /nfs/dbraw/zinc/74/94/66/562749466.db2.gz IIVLCPFWULYALQ-NHCUHLMSSA-N -1 3 503.382 5.983 1 0 KKAFHM COc1cc2ncnc(Oc3cccc(NC(=O)[N-]c4cc(C5(C(F)(F)F)CCC5)no4)c3)c2cc1OC ZINC000084758511 562752623 /nfs/dbraw/zinc/75/26/23/562752623.db2.gz BRQZEGWSBNNJQR-UHFFFAOYSA-N -1 3 529.475 6.055 1 0 KKAFHM CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc2ccccc2c1 ZINC000084759569 562753013 /nfs/dbraw/zinc/75/30/13/562753013.db2.gz AUFZXXHBKOYHQL-JDXGNMNLSA-N -1 3 567.686 5.547 1 0 KKAFHM CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2)C1 ZINC000095540416 562755718 /nfs/dbraw/zinc/75/57/18/562755718.db2.gz KSTGYGUALIWURS-JSQBRMMTSA-N -1 3 794.949 8.219 1 0 KKAFHM COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(=O)c-3c([O-])c2OC)cc1-c1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)ccc1OC ZINC000095547035 562758668 /nfs/dbraw/zinc/75/86/68/562758668.db2.gz YNNGFXKYDXUBIT-UHFFFAOYSA-N -1 3 788.755 6.701 1 0 KKAFHM COc1ccc(-c2oc3c(OC)c(OC)c(OC)c([O-])c3c(=O)c2OC)cc1-c1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)ccc1OC ZINC000095547035 562758669 /nfs/dbraw/zinc/75/86/69/562758669.db2.gz YNNGFXKYDXUBIT-UHFFFAOYSA-N -1 3 788.755 6.701 1 0 KKAFHM CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=S)[S-] ZINC000095554572 562761274 /nfs/dbraw/zinc/76/12/74/562761274.db2.gz HJJRGAUEVIXZEC-XOPCJJJQSA-N -1 3 556.794 5.871 1 0 KKAFHM Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc([N-]S(=O)(=O)c5cccc(C(F)(F)F)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095555913 562761647 /nfs/dbraw/zinc/76/16/47/562761647.db2.gz BGXSBQPQELZHHE-UHFFFAOYSA-N -1 3 848.436 7.834 1 0 KKAFHM O=C([O-])CCCCn1nnc(-c2ccc(C(=O)N3CCC(N4CCC(Oc5ccc(Cl)c(Cl)c5)CC4)CC3)cc2)n1 ZINC000095557232 562762012 /nfs/dbraw/zinc/76/20/12/562762012.db2.gz LGNOCEJCJLXMEA-UHFFFAOYSA-N -1 3 601.535 5.050 1 0 KKAFHM CC(C)(C)c1ccc(-c2cc(CC(=O)[O-])ccc2[C@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)cc1 ZINC000095558759 562762539 /nfs/dbraw/zinc/76/25/39/562762539.db2.gz IXXMHIRUDXQGFN-LJAQVGFWSA-N -1 3 527.602 7.781 1 0 KKAFHM CC(C)(C)C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563551 562764001 /nfs/dbraw/zinc/76/40/01/562764001.db2.gz JYXFSDHTCRNPHC-FQLXRVMXSA-N -1 3 541.629 8.691 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095567102 562765561 /nfs/dbraw/zinc/76/55/61/562765561.db2.gz ORTMWWQHMCADOR-WEVAMHJFSA-N -1 3 741.178 7.375 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567568 562765898 /nfs/dbraw/zinc/76/58/98/562765898.db2.gz UGALTWQJAJNGEN-IOAOZTLTSA-N -1 3 720.292 5.256 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567896 562766206 /nfs/dbraw/zinc/76/62/06/562766206.db2.gz XVJMWCXMALPRRA-AWYDNWMNSA-N -1 3 661.796 5.700 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095568431 562766635 /nfs/dbraw/zinc/76/66/35/562766635.db2.gz VYACBIYDVUCBDQ-DIBPYXDISA-N -1 3 641.017 5.800 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568497 562766683 /nfs/dbraw/zinc/76/66/83/562766683.db2.gz RKBLFXPXPCVUTN-AZAGJHQNSA-N -1 3 662.252 6.089 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569633 562767575 /nfs/dbraw/zinc/76/75/75/562767575.db2.gz UQRVVYXDOOLUAO-VBEKBXFHSA-N -1 3 723.830 6.573 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570069 562767916 /nfs/dbraw/zinc/76/79/16/562767916.db2.gz DVNKZOFDASKPOO-ZORUDCLVSA-N -1 3 806.426 6.903 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2C1=O ZINC000095570181 562767963 /nfs/dbraw/zinc/76/79/63/562767963.db2.gz GTUQXIUJJGJFLR-DTTPJGKXSA-N -1 3 709.832 5.167 3 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095572354 562769394 /nfs/dbraw/zinc/76/93/94/562769394.db2.gz NMDOCVFQUCJPCA-GOSISDBHSA-N -1 3 578.632 5.415 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccc(F)c(F)c2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574659 562770063 /nfs/dbraw/zinc/77/00/63/562770063.db2.gz QOMZYLYCCSVVAE-KRWDZBQOSA-N -1 3 628.639 5.768 1 0 KKAFHM CCCCC[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Br)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095575127 562770216 /nfs/dbraw/zinc/77/02/16/562770216.db2.gz NBIFTJOTVIZGJA-WIOPSUGQSA-N -1 3 584.511 6.057 1 0 KKAFHM COc1ccc2nccc([C@H](O)CC[C@@H]3CCN(CCSc4sccc4P(=O)(OC(C)C)OC(C)C)C[C@@H]3C(=O)[O-])c2c1 ZINC000095579581 562771588 /nfs/dbraw/zinc/77/15/88/562771588.db2.gz DQWDYFAGOBNWAK-AEAGWUPHSA-N -1 3 650.800 6.602 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095579885 562771716 /nfs/dbraw/zinc/77/17/16/562771716.db2.gz SABXAYNLEVUPEM-QGZVFWFLSA-N -1 3 624.632 5.269 1 0 KKAFHM O=S(=O)([N-]c1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(CN3CCC3)c2)cc1F ZINC000095583709 562773008 /nfs/dbraw/zinc/77/30/08/562773008.db2.gz WIJCNFOHKZZGGH-UHFFFAOYSA-N -1 3 550.012 5.331 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095598906 562777596 /nfs/dbraw/zinc/77/75/96/562777596.db2.gz RXIJSVCALBVVES-QZCKSCMDSA-N -1 3 706.733 6.722 1 0 KKAFHM O=C(C[C@@H]1C[C@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095599142 562777846 /nfs/dbraw/zinc/77/78/46/562777846.db2.gz BHEWHBNGLCOXBN-MDCLPFIVSA-N -1 3 618.683 5.120 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599328 562778020 /nfs/dbraw/zinc/77/80/20/562778020.db2.gz CBAAPWVHONFTKW-OGIDDNHMSA-N -1 3 724.843 6.039 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600121 562778604 /nfs/dbraw/zinc/77/86/04/562778604.db2.gz TWITWBWSJUAADS-BAFLQTSHSA-N -1 3 715.935 5.220 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095600145 562778616 /nfs/dbraw/zinc/77/86/16/562778616.db2.gz ZIZWTQGIFKHADQ-GTNJKRJXSA-N -1 3 620.599 5.455 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600253 562778738 /nfs/dbraw/zinc/77/87/38/562778738.db2.gz LTBMLRZREJTXIR-VAQOQGKESA-N -1 3 736.353 5.565 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600706 562779133 /nfs/dbraw/zinc/77/91/33/562779133.db2.gz ORTMWWQHMCADOR-ZCKQCUHLSA-N -1 3 741.178 7.375 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095601000 562779440 /nfs/dbraw/zinc/77/94/40/562779440.db2.gz RKFPRZNLXVJUNG-DOBRQBTGSA-N -1 3 627.807 5.815 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601294 562779555 /nfs/dbraw/zinc/77/95/55/562779555.db2.gz LFZLAWVTNRSJHJ-MCYUDXQTSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095601718 562779726 /nfs/dbraw/zinc/77/97/26/562779726.db2.gz BYUWMZXSAAGXAD-ASHZAFPQSA-N -1 3 606.572 5.146 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095602401 562780063 /nfs/dbraw/zinc/78/00/63/562780063.db2.gz QMCFBRPLMVFDBX-SUCLBKFRSA-N -1 3 740.285 7.087 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095602777 562780242 /nfs/dbraw/zinc/78/02/42/562780242.db2.gz LTBMLRZREJTXIR-GHVZQYPWSA-N -1 3 736.353 5.565 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095604269 562780933 /nfs/dbraw/zinc/78/09/33/562780933.db2.gz CBAAPWVHONFTKW-KSUBRIHNSA-N -1 3 724.843 6.039 1 0 KKAFHM Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095604327 562780968 /nfs/dbraw/zinc/78/09/68/562780968.db2.gz HXECTXYQHLRECE-VAQOQGKESA-N -1 3 719.898 5.051 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095604862 562781205 /nfs/dbraw/zinc/78/12/05/562781205.db2.gz FLOZMHQLKWUFJL-IKDMDFKBSA-N -1 3 655.044 5.729 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604916 562781249 /nfs/dbraw/zinc/78/12/49/562781249.db2.gz UIKXZKCHSBRXDR-GAIIXZKLSA-N -1 3 705.840 6.434 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095605081 562781311 /nfs/dbraw/zinc/78/13/11/562781311.db2.gz NLNOREAGNASAOL-XZSHTLEFSA-N -1 3 643.872 5.476 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCC(F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095607135 562782651 /nfs/dbraw/zinc/78/26/51/562782651.db2.gz MTMUFVRWSFFHDU-QUGAMOGWSA-N -1 3 503.511 7.223 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCC(F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095607132 562782654 /nfs/dbraw/zinc/78/26/54/562782654.db2.gz MTMUFVRWSFFHDU-MRDQGFSESA-N -1 3 503.511 7.223 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095823520 562789333 /nfs/dbraw/zinc/78/93/33/562789333.db2.gz BTKKALCSURFCKW-JWUQWVJQSA-N -1 3 633.733 5.096 1 0 KKAFHM CC(C)CCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286103 562796036 /nfs/dbraw/zinc/79/60/36/562796036.db2.gz CPXMQOGFICWLSN-CQSZACIVSA-N -1 3 521.602 5.169 1 0 KKAFHM Cc1cc(-c2c(Cl)cccc2Cl)cc2nnc([N-]c3cc(OCCN4CCCC4)nc(C)n3)nc12 ZINC000096167811 562790579 /nfs/dbraw/zinc/79/05/79/562790579.db2.gz CJHXNOAMXWHZLV-UHFFFAOYSA-N -1 3 510.429 5.624 1 0 KKAFHM Cc1cc(-c2c(Cl)ccc([O-])c2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCCC4)cc3)nc12 ZINC000096167828 562790656 /nfs/dbraw/zinc/79/06/56/562790656.db2.gz XBEFVUUWBLUYLM-UHFFFAOYSA-N -1 3 587.533 5.473 1 0 KKAFHM COCCN1CCC(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175751 562791955 /nfs/dbraw/zinc/79/19/55/562791955.db2.gz QECCAWDDZJLAKL-UHFFFAOYSA-N -1 3 675.856 5.833 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270899 562793435 /nfs/dbraw/zinc/79/34/35/562793435.db2.gz QMEVUPZOUYRQGV-KRWDZBQOSA-N -1 3 581.632 5.907 1 0 KKAFHM CCC1CCC(Oc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000096270941 562793535 /nfs/dbraw/zinc/79/35/35/562793535.db2.gz FSVXKFSGIZNNHH-MDCZIUGASA-N -1 3 545.599 5.379 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270918 562793541 /nfs/dbraw/zinc/79/35/41/562793541.db2.gz GFXRRBAIECQZAS-QGZVFWFLSA-N -1 3 632.677 5.057 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1C[C@H](C)C[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270935 562793545 /nfs/dbraw/zinc/79/35/45/562793545.db2.gz SIZPLSFHUZQYRB-OAGGEKHMSA-N -1 3 545.599 5.234 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270913 562793563 /nfs/dbraw/zinc/79/35/63/562793563.db2.gz RXHMBUWWKUMPRB-RXVVDRJESA-N -1 3 646.704 5.589 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286055 562795977 /nfs/dbraw/zinc/79/59/77/562795977.db2.gz WYLWMOLQFFLSSD-MRXNPFEDSA-N -1 3 555.619 5.366 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1S[C@H]1CCCC[C@@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286077 562795999 /nfs/dbraw/zinc/79/59/99/562795999.db2.gz JXVCKHKRYPJWMM-AVYPCKFXSA-N -1 3 547.640 5.702 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286070 562796010 /nfs/dbraw/zinc/79/60/10/562796010.db2.gz ARJVQJZAWVZUKV-HNNXBMFYSA-N -1 3 547.640 5.703 1 0 KKAFHM COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)ccc(F)c5OC)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905567 562798526 /nfs/dbraw/zinc/79/85/26/562798526.db2.gz BXDGBLHLTQLQKX-AAWLLVPVSA-N -1 3 540.607 5.313 1 0 KKAFHM O=c1[n-]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](O)[C@H]2OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl ZINC000096928953 562802999 /nfs/dbraw/zinc/80/29/99/562802999.db2.gz RFPOLUVPLFDSEF-VLGKNGBSSA-N -1 3 763.290 7.834 1 0 KKAFHM CCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214419 562816931 /nfs/dbraw/zinc/81/69/31/562816931.db2.gz CAWYULAMJZVWIO-UHFFFAOYSA-N -1 3 545.072 5.657 1 0 KKAFHM CCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214419 562816932 /nfs/dbraw/zinc/81/69/32/562816932.db2.gz CAWYULAMJZVWIO-UHFFFAOYSA-N -1 3 545.072 5.657 1 0 KKAFHM CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214482 562816948 /nfs/dbraw/zinc/81/69/48/562816948.db2.gz CUWNUEWNKUJFGP-UHFFFAOYSA-N -1 3 582.690 5.180 1 0 KKAFHM CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214482 562816949 /nfs/dbraw/zinc/81/69/49/562816949.db2.gz CUWNUEWNKUJFGP-UHFFFAOYSA-N -1 3 582.690 5.180 1 0 KKAFHM CCCCc1nnc(SCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103215775 562817105 /nfs/dbraw/zinc/81/71/05/562817105.db2.gz JWQLWOLBSUWETO-UHFFFAOYSA-N -1 3 538.681 5.436 1 0 KKAFHM CCCCc1nnc(SCCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103215775 562817106 /nfs/dbraw/zinc/81/71/06/562817106.db2.gz JWQLWOLBSUWETO-UHFFFAOYSA-N -1 3 538.681 5.436 1 0 KKAFHM CN1CCN(CCCCOc2c(OCc3ccccc3)cc3oc(-c4ccccc4)cc([O-])c-3c2=O)CC1 ZINC000103271022 562823012 /nfs/dbraw/zinc/82/30/12/562823012.db2.gz HCMGEJHZYAEVLU-UHFFFAOYSA-N -1 3 514.622 5.151 1 0 KKAFHM CN1CCN(CCCCOc2c([O-])c3c(=O)cc(-c4ccccc4)oc3cc2OCc2ccccc2)CC1 ZINC000103271022 562823013 /nfs/dbraw/zinc/82/30/13/562823013.db2.gz HCMGEJHZYAEVLU-UHFFFAOYSA-N -1 3 514.622 5.151 1 0 KKAFHM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NCCCN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)cc2)n1 ZINC000103277781 562823307 /nfs/dbraw/zinc/82/33/07/562823307.db2.gz HODXSMOKTRSFFX-WJOKGBTCSA-N -1 3 605.208 5.757 1 0 KKAFHM COc1ccccc1[N-]C(=S)Sc1nc(Nc2cccc(C)c2)nc(SC(=S)Nc2ccccc2OC)n1 ZINC000103291089 562824234 /nfs/dbraw/zinc/82/42/34/562824234.db2.gz NBDIJEIENFLLQN-UHFFFAOYSA-N -1 3 580.786 6.919 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000113335152 562826487 /nfs/dbraw/zinc/82/64/87/562826487.db2.gz LLUVUTBCUVPUNF-ISKXDESKSA-N -1 3 614.501 6.228 1 0 KKAFHM CN1CCN(C2CCN(c3c(C(=O)C4CC4)cnc4ccc(-c5ccc([O-])c(Cl)c5)cc43)CC2)CC1 ZINC000114038691 562827340 /nfs/dbraw/zinc/82/73/40/562827340.db2.gz LHQNZJAFQOLFDX-UHFFFAOYSA-N -1 3 505.062 5.070 1 0 KKAFHM CN(C)CCN1CCC(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000114039169 562827432 /nfs/dbraw/zinc/82/74/32/562827432.db2.gz VTUKFPKHGIWCSA-UHFFFAOYSA-N -1 3 511.041 5.431 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)C2CCCCC2)cc1F ZINC000138708074 562832140 /nfs/dbraw/zinc/83/21/40/562832140.db2.gz QTWBFGXNMPCXRX-RUZDIDTESA-N -1 3 601.732 7.016 1 0 KKAFHM Cc1ccccc1[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138780818 562832189 /nfs/dbraw/zinc/83/21/89/562832189.db2.gz YMOVRMWTEMKADF-SANMLTNESA-N -1 3 592.659 5.604 1 0 KKAFHM O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000138846691 562832215 /nfs/dbraw/zinc/83/22/15/562832215.db2.gz VJBSRUATQQLEPG-SAOINSJVSA-N -1 3 581.081 6.544 1 0 KKAFHM CS(=O)(=O)[N-]c1cnc2sc(S(=O)(=O)c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2c1 ZINC000140634161 562833217 /nfs/dbraw/zinc/83/32/17/562833217.db2.gz LGTDUDRRHZTOPR-UHFFFAOYSA-N -1 3 513.449 5.474 1 0 KKAFHM COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000144545508 562836388 /nfs/dbraw/zinc/83/63/88/562836388.db2.gz FCEQFHOHNCPYHD-PMERELPUSA-N -1 3 532.641 5.393 1 0 KKAFHM CC(C)Oc1ccc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c1 ZINC000144559580 562836476 /nfs/dbraw/zinc/83/64/76/562836476.db2.gz GHUNSWQDHYMSDH-UHFFFAOYSA-N -1 3 554.565 6.248 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145701783 562837533 /nfs/dbraw/zinc/83/75/33/562837533.db2.gz UHGQBIWWGFIPOI-INIZCTEOSA-N -1 3 529.600 5.262 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146245598 562838400 /nfs/dbraw/zinc/83/84/00/562838400.db2.gz FLSKKDMRWPQVNE-MRXNPFEDSA-N -1 3 515.573 5.016 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146607212 562838720 /nfs/dbraw/zinc/83/87/20/562838720.db2.gz PGTODQABOSQSPZ-VNDWYCCKSA-N -1 3 501.546 5.090 1 0 KKAFHM Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc([C@](C)(O)c4cccc(F)c4[O-])nn23)ccc1C(=O)NC1CC1 ZINC000147488444 562839403 /nfs/dbraw/zinc/83/94/03/562839403.db2.gz DSCYGDOLRIGYLN-HHHXNRCGSA-N -1 3 557.548 5.062 1 0 KKAFHM COc1ccc(Br)c(C(=O)[N-]N2C(=O)CS[C@H]2C2=C(Cl)c3ccccc3[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000150578444 562845405 /nfs/dbraw/zinc/84/54/05/562845405.db2.gz FDOQNEKCGTVVCN-MYUZEXMDSA-N -1 3 638.798 7.497 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c(OCC2CC2)c1 ZINC000150603070 562847342 /nfs/dbraw/zinc/84/73/42/562847342.db2.gz HYNHXXLRHDXNIA-SANMLTNESA-N -1 3 687.545 6.318 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324745 562857433 /nfs/dbraw/zinc/85/74/33/562857433.db2.gz IZKIFLOPLOMCNX-UHFFFAOYSA-N -1 3 515.577 5.583 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324745 562857434 /nfs/dbraw/zinc/85/74/34/562857434.db2.gz IZKIFLOPLOMCNX-UHFFFAOYSA-N -1 3 515.577 5.583 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc(Cl)c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324718 562857449 /nfs/dbraw/zinc/85/74/49/562857449.db2.gz LGQOKSPRMCXAKO-UHFFFAOYSA-N -1 3 564.049 5.914 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc(Cl)c3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324718 562857450 /nfs/dbraw/zinc/85/74/50/562857450.db2.gz LGQOKSPRMCXAKO-UHFFFAOYSA-N -1 3 564.049 5.914 1 0 KKAFHM CCSc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169325388 562857622 /nfs/dbraw/zinc/85/76/22/562857622.db2.gz VPNRAHQMZXRZGB-UHFFFAOYSA-N -1 3 545.672 5.974 1 0 KKAFHM CCSc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169325388 562857623 /nfs/dbraw/zinc/85/76/23/562857623.db2.gz VPNRAHQMZXRZGB-UHFFFAOYSA-N -1 3 545.672 5.974 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=O)NCc4ccccc4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000169339675 562860446 /nfs/dbraw/zinc/86/04/46/562860446.db2.gz DIPGETSFQFCCIO-SSEXGKCCSA-N -1 3 553.688 5.296 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc([N-]S(=O)(=O)c2cccc(-c3ccsc3)c2)cc1F ZINC000169344655 562861454 /nfs/dbraw/zinc/86/14/54/562861454.db2.gz DOTUMOAINSRLGC-UHFFFAOYSA-N -1 3 662.809 6.720 1 0 KKAFHM O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@H](C2CCCCC2)C1=C([O-])c1ccc(Br)cc1 ZINC000169694851 562865640 /nfs/dbraw/zinc/86/56/40/562865640.db2.gz LGLKQEOSBZQPJD-XZOQPEGZSA-N -1 3 507.384 5.468 1 0 KKAFHM COCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695723 562865812 /nfs/dbraw/zinc/86/58/12/562865812.db2.gz HKHJBNPXHHONJN-RRPNLBNLSA-N -1 3 505.636 5.637 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696079 562865940 /nfs/dbraw/zinc/86/59/40/562865940.db2.gz KPEGKBZAPGWVBV-FTJBHMTQSA-N -1 3 502.636 5.314 1 0 KKAFHM COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696143 562865954 /nfs/dbraw/zinc/86/59/54/562865954.db2.gz SNBJCOWKKNKKJK-FTJBHMTQSA-N -1 3 506.624 5.032 1 0 KKAFHM COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696668 562866198 /nfs/dbraw/zinc/86/61/98/562866198.db2.gz PAYUPMDZXNJZNZ-ZEQRLZLVSA-N -1 3 506.624 5.032 1 0 KKAFHM Cn1c2cc(N3CCC(C(F)(F)F)CC3)c(C(=O)NCCC(F)(F)F)cc2nc1Nc1c(Cl)ccc(CNC(=O)c2cccc([O-])c2)c1Cl ZINC000169701046 562867868 /nfs/dbraw/zinc/86/78/68/562867868.db2.gz SLXBQUQYMPVPBV-UHFFFAOYSA-N -1 3 731.525 7.720 1 0 KKAFHM COc1ccc2c(CN3CCC4(CN(c5ccc(C(=O)[O-])cc5)C(=O)O4)CC3)cn(-c3ccccc3)c2c1 ZINC000169702664 562868518 /nfs/dbraw/zinc/86/85/18/562868518.db2.gz UJHCZTQTKJIUBM-UHFFFAOYSA-N -1 3 511.578 5.329 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc2c(c1)CC[C@@H]2N(C)C ZINC000203800655 562874139 /nfs/dbraw/zinc/87/41/39/562874139.db2.gz TZBZMFHYXWJHRD-SANMLTNESA-N -1 3 506.433 7.409 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1cnc(C)c(CCN2CCCC2)c1 ZINC000219344428 562878034 /nfs/dbraw/zinc/87/80/34/562878034.db2.gz INBKUQAZGFJIRU-UHFFFAOYSA-N -1 3 519.020 6.688 1 0 KKAFHM COc1cc(-c2cc3c(cc2F)ncc(C(=O)C2CC2)c3Nc2ccc(CN(C)C)cc2)cc(Cl)c1[O-] ZINC000219360975 562878102 /nfs/dbraw/zinc/87/81/02/562878102.db2.gz KMLDENAOTCPOMZ-UHFFFAOYSA-N -1 3 520.004 6.806 1 0 KKAFHM CN(C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3c(F)cc(-c4cc(F)c([O-])c(Cl)c4)cc32)cc1 ZINC000219384231 562878165 /nfs/dbraw/zinc/87/81/65/562878165.db2.gz LZBVJQGFUDIFPC-UHFFFAOYSA-N -1 3 507.968 6.937 1 0 KKAFHM C[C@H](c1ccc(C(C)(C)C)nc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000224834054 562880564 /nfs/dbraw/zinc/88/05/64/562880564.db2.gz DUVASYYCXRCGHW-XMMPIXPASA-N -1 3 577.810 7.951 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=C[C@H](C)CCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299833926 562886322 /nfs/dbraw/zinc/88/63/22/562886322.db2.gz PGGPQRJFNUXTSW-CABCVRRESA-N -1 3 513.557 5.234 1 0 KKAFHM Cc1cc(NC(=O)C2(NC(=O)c3ccc4c(c3)n(C)c(-c3ccccn3)c4C3CCCC3)CCC2)ccc1/C=C/C(=O)[O-] ZINC000299836899 562887326 /nfs/dbraw/zinc/88/73/26/562887326.db2.gz NXOCMAKDNSZVJL-DTQAZKPQSA-N -1 3 576.697 6.595 1 0 KKAFHM CCN(C)S(=O)(=O)[N-]c1cc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c(F)c1 ZINC000299861454 562893342 /nfs/dbraw/zinc/89/33/42/562893342.db2.gz LLAFAUCUKNMECC-UHFFFAOYSA-N -1 3 504.946 5.001 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N[C@H]4CC[C@H](CN5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000473152122 562901799 /nfs/dbraw/zinc/90/17/99/562901799.db2.gz LQQQYFDMGYUJNL-SXSPYAJSSA-N -1 3 552.090 6.299 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccccc1Cl)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154439 562902188 /nfs/dbraw/zinc/90/21/88/562902188.db2.gz HNQQYAOPEUEXGZ-OAHLLOKOSA-N -1 3 575.049 6.582 1 0 KKAFHM CC(C)CCOc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154665 562902196 /nfs/dbraw/zinc/90/21/96/562902196.db2.gz JZQBEQCKYQXWBJ-HNNXBMFYSA-N -1 3 504.546 5.061 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154635 562902222 /nfs/dbraw/zinc/90/22/22/562902222.db2.gz JQZMWSZSMXCCMZ-OAHLLOKOSA-N -1 3 532.625 6.061 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653697660 562907104 /nfs/dbraw/zinc/90/71/04/562907104.db2.gz IRVXNAGLDWULOL-GOSISDBHSA-N -1 3 668.666 5.697 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653700682 562907338 /nfs/dbraw/zinc/90/73/38/562907338.db2.gz BIRSOAKKFQXHLX-LJQANCHMSA-N -1 3 682.693 5.566 1 0 KKAFHM CCOc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653751524 562910626 /nfs/dbraw/zinc/91/06/26/562910626.db2.gz IARZZMIMDHNXOG-HSZRJFAPSA-N -1 3 571.685 6.172 1 0 KKAFHM CCOc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653751524 562910627 /nfs/dbraw/zinc/91/06/27/562910627.db2.gz IARZZMIMDHNXOG-HSZRJFAPSA-N -1 3 571.685 6.172 1 0 KKAFHM CCCSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653755663 562910882 /nfs/dbraw/zinc/91/08/82/562910882.db2.gz ONDPIKSLHQPDEN-DEOSSOPVSA-N -1 3 601.780 7.276 1 0 KKAFHM CCCSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653755663 562910883 /nfs/dbraw/zinc/91/08/83/562910883.db2.gz ONDPIKSLHQPDEN-DEOSSOPVSA-N -1 3 601.780 7.276 1 0 KKAFHM COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3)C(=O)c3cc(C(F)(F)F)c(O)cc3[O-])cc2)cc1 ZINC000653756242 562911013 /nfs/dbraw/zinc/91/10/13/562911013.db2.gz VRIUJSRPMPNMSV-UHFFFAOYSA-N -1 3 564.560 6.244 1 0 KKAFHM C/C=C(\C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1)C1CCCC1 ZINC000085595217 565152837 /nfs/dbraw/zinc/15/28/37/565152837.db2.gz GYSKTVWOEHREMZ-JOSOHQEHSA-N -1 3 626.706 5.715 1 0 biogenic,in-vitro KKAFHM C/C=C(\C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1)C1CCCC1 ZINC000085595217 565152841 /nfs/dbraw/zinc/15/28/41/565152841.db2.gz GYSKTVWOEHREMZ-JOSOHQEHSA-N -1 3 626.706 5.715 1 0 biogenic,in-vitro KKAFHM C=C/C(C)=C/C[C@]1(C)[C@H](C)CC[C@@]23C(=C[C@H](OC(=O)c4ccc([O-])cc4)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000042806278 291891814 /nfs/dbraw/zinc/89/18/14/291891814.db2.gz RKOVIXOSRVSKPI-OLAUXWBOSA-N -1 3 538.637 5.618 1 0 biogenic,in-vitro KKAFHM CC(C)=CCc1c2c(ccc1O)[C@@]1(CC=C(C)C)Oc3cc4c(c([O-])c3C(=O)[C@@]1(O)O2)C=CC(C)(C)O4 ZINC000014712271 291911838 /nfs/dbraw/zinc/91/18/38/291911838.db2.gz BSEWSLOUHTTXHH-LOYHVIPDSA-N -1 3 504.579 5.699 1 0 biogenic,in-vitro KKAFHM CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001886637 561679980 /nfs/dbraw/zinc/67/99/80/561679980.db2.gz XZCUIMYYMKTCBA-UHFFFAOYSA-N -1 3 508.626 5.516 1 0 KKAFHM CCCCc1nc2ccc(C(C)(C)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001886637 561679981 /nfs/dbraw/zinc/67/99/81/561679981.db2.gz XZCUIMYYMKTCBA-UHFFFAOYSA-N -1 3 508.626 5.516 1 0 KKAFHM COc1cc(OC)c2c([O-])c3c(c(-c4c5cc(OC)cc(OC)c5c(O)c5c4[C@H](OC(C)=O)[C@H](C)OC5)c2c1)[C@H](OC(C)=O)[C@H](C)OC3 ZINC000003925458 561686528 /nfs/dbraw/zinc/68/65/28/561686528.db2.gz PEDZYCDSAWVMRN-DZEHZSJLSA-N -1 3 662.688 6.151 1 0 KKAFHM CCCC[C@H](NC(=O)O[C@H](Cn1cnc(-c2ccc(C(F)(F)F)cc2)c1)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000003952058 561690568 /nfs/dbraw/zinc/69/05/68/561690568.db2.gz XHGOLGYGBDIOFD-WIOPSUGQSA-N -1 3 623.698 5.211 1 0 KKAFHM COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455710 561713688 /nfs/dbraw/zinc/71/36/88/561713688.db2.gz LCGCRFOPZGGJNQ-JOCHJYFZSA-N -1 3 523.689 7.236 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)cc1 ZINC000013470124 561713726 /nfs/dbraw/zinc/71/37/26/561713726.db2.gz KDKGYZPRCNXIRY-USOMCTOXSA-N -1 3 508.659 5.248 1 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([N-]S(=O)(=O)c2cccs2)C3)c1-c1ccc(Cl)cc1 ZINC000013471256 561714003 /nfs/dbraw/zinc/71/40/03/561714003.db2.gz SCIQVOYRQAZVMN-QHCPKHFHSA-N -1 3 523.079 6.075 1 0 KKAFHM COc1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013493109 561716544 /nfs/dbraw/zinc/71/65/44/561716544.db2.gz MQVTTZZNSGJGES-MUUNZHRXSA-N -1 3 506.514 5.271 1 0 KKAFHM O=C([N-]c1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn21)Nc1cccc(Cl)c1 ZINC000013672045 561723754 /nfs/dbraw/zinc/72/37/54/561723754.db2.gz NVIPLOWTLXCBSA-UHFFFAOYSA-N -1 3 512.961 5.664 1 0 KKAFHM CCCCc1nc(-c2nc(C)ccc2C(=O)OC)cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742393 561726370 /nfs/dbraw/zinc/72/63/70/561726370.db2.gz MOCGESLJAITIDQ-UHFFFAOYSA-N -1 3 507.598 5.278 1 0 KKAFHM CCCCc1nc(-c2nc(C)ccc2C(=O)OC)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742393 561726372 /nfs/dbraw/zinc/72/63/72/561726372.db2.gz MOCGESLJAITIDQ-UHFFFAOYSA-N -1 3 507.598 5.278 1 0 KKAFHM CCCCc1nc(-c2nc(C)cc(C)c2C(=O)OC)cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742395 561726383 /nfs/dbraw/zinc/72/63/83/561726383.db2.gz UFYOZNUQCIZROJ-UHFFFAOYSA-N -1 3 521.625 5.587 1 0 KKAFHM CCCCc1nc(-c2nc(C)cc(C)c2C(=O)OC)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742395 561726386 /nfs/dbraw/zinc/72/63/86/561726386.db2.gz UFYOZNUQCIZROJ-UHFFFAOYSA-N -1 3 521.625 5.587 1 0 KKAFHM C[C@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804865 561731360 /nfs/dbraw/zinc/73/13/60/561731360.db2.gz NZBVOMXEUCSRGH-FQEVSTJZSA-N -1 3 514.589 5.567 1 0 KKAFHM C[C@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804865 561731361 /nfs/dbraw/zinc/73/13/61/561731361.db2.gz NZBVOMXEUCSRGH-FQEVSTJZSA-N -1 3 514.589 5.567 1 0 KKAFHM C[C@H](C(=O)NCc1ccccc1-c1nnn[n-]1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804770 561731397 /nfs/dbraw/zinc/73/13/97/561731397.db2.gz FQWAVMRFISHXBT-FQEVSTJZSA-N -1 3 514.589 5.567 1 0 KKAFHM C[C@H](C(=O)NCc1ccccc1-c1nn[n-]n1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804770 561731398 /nfs/dbraw/zinc/73/13/98/561731398.db2.gz FQWAVMRFISHXBT-FQEVSTJZSA-N -1 3 514.589 5.567 1 0 KKAFHM CCCCOC(=O)c1cccc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c21 ZINC000013828058 561733129 /nfs/dbraw/zinc/73/31/29/561733129.db2.gz WCNAWENKGGEKNT-UHFFFAOYSA-N -1 3 508.626 6.231 1 0 KKAFHM CCCCOC(=O)c1cccc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c21 ZINC000013828058 561733131 /nfs/dbraw/zinc/73/31/31/561733131.db2.gz WCNAWENKGGEKNT-UHFFFAOYSA-N -1 3 508.626 6.231 1 0 KKAFHM COc1ccc([C@@H]2Nc3cccc([O-])c3C(=O)N2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013831412 561733294 /nfs/dbraw/zinc/73/32/94/561733294.db2.gz JRVXFGNCHKHBPA-SSEXGKCCSA-N -1 3 523.589 5.705 3 0 KKAFHM CCCCc1nn(Cc2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013833903 561733966 /nfs/dbraw/zinc/73/39/66/561733966.db2.gz CRLOWBCKQSDTIH-UHFFFAOYSA-N -1 3 520.637 5.889 1 0 KKAFHM CCCCc1nn(Cc2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013833903 561733968 /nfs/dbraw/zinc/73/39/68/561733968.db2.gz CRLOWBCKQSDTIH-UHFFFAOYSA-N -1 3 520.637 5.889 1 0 KKAFHM CCCCc1nn(-c2ccccn2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013833901 561733977 /nfs/dbraw/zinc/73/39/77/561733977.db2.gz OUKDNXWAPUNLTN-UHFFFAOYSA-N -1 3 507.598 5.225 1 0 KKAFHM CCCCc1nn(-c2ccccn2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013833901 561733980 /nfs/dbraw/zinc/73/39/80/561733980.db2.gz OUKDNXWAPUNLTN-UHFFFAOYSA-N -1 3 507.598 5.225 1 0 KKAFHM O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-c5nnn[n-]5)cc4nc3-c3ccccc3)cc2)CC1 ZINC000014957942 561748055 /nfs/dbraw/zinc/74/80/55/561748055.db2.gz BYLSJFOFBQNZSU-UHFFFAOYSA-N -1 3 579.668 5.624 1 0 KKAFHM O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccc(-c5nn[n-]n5)cc4nc3-c3ccccc3)cc2)CC1 ZINC000014957942 561748057 /nfs/dbraw/zinc/74/80/57/561748057.db2.gz BYLSJFOFBQNZSU-UHFFFAOYSA-N -1 3 579.668 5.624 1 0 KKAFHM CS(=O)(=O)CC[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2ccc(Cl)cc2o1 ZINC000014971643 561751310 /nfs/dbraw/zinc/75/13/10/561751310.db2.gz FSXZTYDYWLKOJJ-ZCYQVOJMSA-N -1 3 591.149 5.353 1 0 KKAFHM O=C(Nc1ccc(OCCCCCCCn2cnnn2)cc1)c1c(O)nc2ccc(-c3cc4ccccc4s3)cc2c1[O-] ZINC000026005281 561765528 /nfs/dbraw/zinc/76/55/28/561765528.db2.gz PRPHKUDXICJZSD-UHFFFAOYSA-N -1 3 594.697 6.384 1 0 KKAFHM CCCCc1nn([C@H](Cc2ccccc2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026289908 561780358 /nfs/dbraw/zinc/78/03/58/561780358.db2.gz LRWLVSQTBCYMQX-WJOKGBTCSA-N -1 3 583.696 5.950 1 0 KKAFHM CCCCc1nn([C@H](Cc2ccccc2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026289908 561780361 /nfs/dbraw/zinc/78/03/61/561780361.db2.gz LRWLVSQTBCYMQX-WJOKGBTCSA-N -1 3 583.696 5.950 1 0 KKAFHM CCCCc1nn([C@@H](Cc2ccccc2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026289901 561780368 /nfs/dbraw/zinc/78/03/68/561780368.db2.gz LRWLVSQTBCYMQX-HKBQPEDESA-N -1 3 583.696 5.950 1 0 KKAFHM CCCCc1nn([C@@H](Cc2ccccc2)C(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026289901 561780370 /nfs/dbraw/zinc/78/03/70/561780370.db2.gz LRWLVSQTBCYMQX-HKBQPEDESA-N -1 3 583.696 5.950 1 0 KKAFHM CCCCc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026394784 561786679 /nfs/dbraw/zinc/78/66/79/561786679.db2.gz NXVJZGNXNUTXSE-HXUWFJFHSA-N -1 3 568.634 5.950 1 0 KKAFHM CCCCc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026394784 561786680 /nfs/dbraw/zinc/78/66/80/561786680.db2.gz NXVJZGNXNUTXSE-HXUWFJFHSA-N -1 3 568.634 5.950 1 0 KKAFHM COc1ccc([C@@](OCCN2CCC[C@@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000026400792 561788310 /nfs/dbraw/zinc/78/83/10/561788310.db2.gz JLPFRSGXRAQFON-PIIWDFAUSA-N -1 3 581.553 6.838 1 0 KKAFHM CCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026638201 561806206 /nfs/dbraw/zinc/80/62/06/561806206.db2.gz LIJXFCGIXHNODY-GDLZYMKVSA-N -1 3 573.657 5.197 1 0 KKAFHM CCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026638201 561806208 /nfs/dbraw/zinc/80/62/08/561806208.db2.gz LIJXFCGIXHNODY-GDLZYMKVSA-N -1 3 573.657 5.197 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)N3CCCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026644092 561807196 /nfs/dbraw/zinc/80/71/96/561807196.db2.gz NWNGMOPQRWXRLE-MGBGTMOVSA-N -1 3 626.765 6.038 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)N3CCCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026644092 561807197 /nfs/dbraw/zinc/80/71/97/561807197.db2.gz NWNGMOPQRWXRLE-MGBGTMOVSA-N -1 3 626.765 6.038 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)C(C)(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026647587 561807763 /nfs/dbraw/zinc/80/77/63/561807763.db2.gz UFPQMGXSGYOSRF-HKBQPEDESA-N -1 3 599.739 6.641 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)C(C)(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026647587 561807765 /nfs/dbraw/zinc/80/77/65/561807765.db2.gz UFPQMGXSGYOSRF-HKBQPEDESA-N -1 3 599.739 6.641 1 0 KKAFHM CN(C[C@@H](CCN1CCC(c2ccccc2[S@@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(=O)[O-])cc2ccccc21 ZINC000026670505 561812205 /nfs/dbraw/zinc/81/22/05/561812205.db2.gz USWLLEIXXQAPOW-RQWLYIOSSA-N -1 3 651.656 7.708 1 0 KKAFHM CO[P@@]([O-])(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)=NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026740789 561818078 /nfs/dbraw/zinc/81/80/78/561818078.db2.gz RRXPZNQXZRMADE-KDXMTYKHSA-N -1 3 555.784 10.125 1 0 KKAFHM CO[P@@](=O)(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)[N-]C(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026740789 561818080 /nfs/dbraw/zinc/81/80/80/561818080.db2.gz RRXPZNQXZRMADE-KDXMTYKHSA-N -1 3 555.784 10.125 1 0 KKAFHM COc1ccccc1N1CCN(CCCC[C@H](Oc2ccc(C(=O)Nc3ccccc3OCCCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000026745790 561818927 /nfs/dbraw/zinc/81/89/27/561818927.db2.gz RTNWLGSAMXEQOP-DHUJRADRSA-N -1 3 651.804 7.304 1 0 KKAFHM CCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026943294 561828337 /nfs/dbraw/zinc/82/83/37/561828337.db2.gz GHNCSULBJRZIGK-UHFFFAOYSA-N -1 3 537.624 5.449 1 0 KKAFHM CCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026943294 561828338 /nfs/dbraw/zinc/82/83/38/561828338.db2.gz GHNCSULBJRZIGK-UHFFFAOYSA-N -1 3 537.624 5.449 1 0 KKAFHM CCCCC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c(=O)c2c1 ZINC000026946176 561828583 /nfs/dbraw/zinc/82/85/83/561828583.db2.gz KLFGDJAOCBEILB-UHFFFAOYSA-N -1 3 611.750 6.968 1 0 KKAFHM CCCCC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c(=O)c2c1 ZINC000026946176 561828584 /nfs/dbraw/zinc/82/85/84/561828584.db2.gz KLFGDJAOCBEILB-UHFFFAOYSA-N -1 3 611.750 6.968 1 0 KKAFHM CCCCc1nc2ccc(N(C)C(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027327611 561853934 /nfs/dbraw/zinc/85/39/34/561853934.db2.gz OTRIUFGSYCXGNV-UHFFFAOYSA-N -1 3 562.722 6.753 1 0 KKAFHM CCCCc1nc2ccc(N(C)C(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027327611 561853936 /nfs/dbraw/zinc/85/39/36/561853936.db2.gz OTRIUFGSYCXGNV-UHFFFAOYSA-N -1 3 562.722 6.753 1 0 KKAFHM O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1Cc2c([n-]c3ccccc3c2=O)[C@@H]1c1ccc2c(c1)OCO2 ZINC000027442916 561860999 /nfs/dbraw/zinc/86/09/99/561860999.db2.gz DTVQHOVWOLPNJL-MHZLTWQESA-N -1 3 544.485 6.281 1 0 KKAFHM CCOC(=O)C1=C(COCCNc2nc(-c3ccccc3)cc(=O)[n-]2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027652861 561876836 /nfs/dbraw/zinc/87/68/36/561876836.db2.gz SDVGTKDQJCXBRE-XLPMDEKGSA-N -1 3 613.498 5.664 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC ZINC000027712496 561879958 /nfs/dbraw/zinc/87/99/58/561879958.db2.gz TWOSZZZGHRJMJC-YADHBBJMSA-N -1 3 532.634 6.126 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])CC)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027730172 561881300 /nfs/dbraw/zinc/88/13/00/561881300.db2.gz YLGWSTZEZPRBPW-WOJBJXKFSA-N -1 3 504.580 5.346 1 0 KKAFHM CCCCc1ccc(CNC(=O)NC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027738240 561882194 /nfs/dbraw/zinc/88/21/94/561882194.db2.gz FNXCWARPNBPJMX-UHFFFAOYSA-N -1 3 539.684 5.218 1 0 KKAFHM CCCCc1ccc(CNC(=O)NC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027738240 561882196 /nfs/dbraw/zinc/88/21/96/561882196.db2.gz FNXCWARPNBPJMX-UHFFFAOYSA-N -1 3 539.684 5.218 1 0 KKAFHM COc1cc([O-])c2c(cc3c(c2OC)C(=O)[C@H](C)[C@H](C)O3)c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1 ZINC000027856656 561886588 /nfs/dbraw/zinc/88/65/88/561886588.db2.gz AVVKNYGJSXHIKG-LTIDMASMSA-N -1 3 616.663 6.608 1 0 KKAFHM O=C(c1ccccc1)c1ccc2c(c1[O-])N[C@@H](c1ccccc1)[C@@H](NCC(c1ccccc1)c1ccccc1)O2 ZINC000028113315 561903433 /nfs/dbraw/zinc/90/34/33/561903433.db2.gz IMGVLHPPOZVQNA-ZJJOJAIXSA-N -1 3 526.636 6.917 1 0 KKAFHM CN(Cc1c(-c2ccc(NC(=O)N[O-])cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F)Cc1ccccc1 ZINC000028241752 561910460 /nfs/dbraw/zinc/91/04/60/561910460.db2.gz NOTUERNGVKFNTG-UHFFFAOYSA-N -1 3 653.711 6.350 1 0 KKAFHM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SC[C@@H](O)CN1CCSCC1 ZINC000028389159 561921848 /nfs/dbraw/zinc/92/18/48/561921848.db2.gz UGGXSVBEXQDAJA-HNNXBMFYSA-N -1 3 531.021 5.075 1 0 KKAFHM CN(C)[C@H]1CN[C@H](C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccc(Cl)cc2)C1 ZINC000028469355 561926755 /nfs/dbraw/zinc/92/67/55/561926755.db2.gz NVFAYGFBOQLQLC-VWNXMTODSA-N -1 3 508.062 5.569 1 0 KKAFHM CN(C)[C@@H]1CN[C@H](C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccc(Cl)cc2)C1 ZINC000028469353 561926762 /nfs/dbraw/zinc/92/67/62/561926762.db2.gz NVFAYGFBOQLQLC-UPVQGACJSA-N -1 3 508.062 5.569 1 0 KKAFHM CCOC(=O)CSc1nc2c([n-]1)c(Br)c(Br)c(Br)c2Br ZINC000028635712 561941149 /nfs/dbraw/zinc/94/11/49/561941149.db2.gz VXZFKOOVHCHWOC-UHFFFAOYSA-N -1 3 551.880 5.268 1 0 KKAFHM CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OCc3ccccc3)n(Cc3ccc([O-])c(Cl)c3)c2C1=O ZINC000028756737 561956480 /nfs/dbraw/zinc/95/64/80/561956480.db2.gz IZTKZRLNXUQDOD-HSZRJFAPSA-N -1 3 542.039 5.132 1 0 KKAFHM CCCCc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028758335 561957261 /nfs/dbraw/zinc/95/72/61/561957261.db2.gz ZREXRHAEDHFVCA-UHFFFAOYSA-N -1 3 547.062 6.955 1 0 KKAFHM CCCCc1nc2ccc(-c3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028758335 561957262 /nfs/dbraw/zinc/95/72/62/561957262.db2.gz ZREXRHAEDHFVCA-UHFFFAOYSA-N -1 3 547.062 6.955 1 0 KKAFHM CC(C)(C)OC(=O)N[C@H](CCCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)[N-]C6=O)CCC5)cs1)C(=O)OC(C)(C)C ZINC000028897234 561979220 /nfs/dbraw/zinc/97/92/20/561979220.db2.gz OVGWBLILHSVMRH-JOCHJYFZSA-N -1 3 630.767 6.375 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1 ZINC000028949640 561980717 /nfs/dbraw/zinc/98/07/17/561980717.db2.gz RXIFCVQKTVDIHV-JOCHJYFZSA-N -1 3 507.612 5.142 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1Cc2ccc(-c3cc4ccccc4n3C(=O)OC(C)(C)C)cc2C1 ZINC000028949643 561980751 /nfs/dbraw/zinc/98/07/51/561980751.db2.gz RXIFCVQKTVDIHV-QFIPXVFZSA-N -1 3 507.612 5.142 1 0 KKAFHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-][C@@H]1CCCN(c2ccc(-c3ccccc3S(C)(=O)=O)cc2F)C1=O ZINC000029125938 561998215 /nfs/dbraw/zinc/99/82/15/561998215.db2.gz VWNBZZJKCBSQBK-JOCHJYFZSA-N -1 3 607.150 5.547 1 0 KKAFHM CCCCc1nc(C)n(Cc2ccc(C(=O)OC)s2)c(=O)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029127594 562000107 /nfs/dbraw/zinc/00/01/07/562000107.db2.gz ILWMCKVPSDFHFZ-UHFFFAOYSA-N -1 3 554.676 5.229 1 0 KKAFHM CCCCc1nc(C)n(Cc2ccc(C(=O)OC)s2)c(=O)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029127594 562000108 /nfs/dbraw/zinc/00/01/08/562000108.db2.gz ILWMCKVPSDFHFZ-UHFFFAOYSA-N -1 3 554.676 5.229 1 0 KKAFHM O=C1N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C(c2ccccc2)=NC1(c1ccccc1)c1ccccc1 ZINC000029326364 562013526 /nfs/dbraw/zinc/01/35/26/562013526.db2.gz BJZSOIKHHJHEQZ-UHFFFAOYSA-N -1 3 546.634 6.267 1 0 KKAFHM O=C1N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C(c2ccccc2)=NC1(c1ccccc1)c1ccccc1 ZINC000029326364 562013527 /nfs/dbraw/zinc/01/35/27/562013527.db2.gz BJZSOIKHHJHEQZ-UHFFFAOYSA-N -1 3 546.634 6.267 1 0 KKAFHM CC(C)c1nc2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029310121 562011913 /nfs/dbraw/zinc/01/19/13/562011913.db2.gz BJEGHUOJTHEZOS-UHFFFAOYSA-N -1 3 637.769 7.324 1 0 KKAFHM CC(C)c1nc2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029310121 562011914 /nfs/dbraw/zinc/01/19/14/562011914.db2.gz BJEGHUOJTHEZOS-UHFFFAOYSA-N -1 3 637.769 7.324 1 0 KKAFHM CCCCc1nc2ccc(N(Cc3ccccc3)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029312425 562012178 /nfs/dbraw/zinc/01/21/78/562012178.db2.gz LAGNTACJASRYHV-UHFFFAOYSA-N -1 3 641.776 7.434 1 0 KKAFHM CCCCc1nc2ccc(N(Cc3ccccc3)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029312425 562012180 /nfs/dbraw/zinc/01/21/80/562012180.db2.gz LAGNTACJASRYHV-UHFFFAOYSA-N -1 3 641.776 7.434 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@H](C)OC(C)=O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029317704 562012621 /nfs/dbraw/zinc/01/26/21/562012621.db2.gz VQBBECQRJRWXRB-GOSISDBHSA-N -1 3 562.030 5.117 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@H](C)OC(C)=O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029317704 562012622 /nfs/dbraw/zinc/01/26/22/562012622.db2.gz VQBBECQRJRWXRB-GOSISDBHSA-N -1 3 562.030 5.117 1 0 KKAFHM CC(C)Cc1nc(-c2ccccc2)cn2c(CC(=O)N[C@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)[N-][C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000029336266 562014410 /nfs/dbraw/zinc/01/44/10/562014410.db2.gz YFNMAILKOUELHL-BHYZAODMSA-N -1 3 744.888 5.434 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C)C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029407174 562020923 /nfs/dbraw/zinc/02/09/23/562020923.db2.gz QTGXBTZPYCUAQA-IJAHGLKVSA-N -1 3 589.744 6.428 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C)C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029407174 562020925 /nfs/dbraw/zinc/02/09/25/562020925.db2.gz QTGXBTZPYCUAQA-IJAHGLKVSA-N -1 3 589.744 6.428 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029409191 562021300 /nfs/dbraw/zinc/02/13/00/562021300.db2.gz CAWNZVPASQNMIX-RNAHPLFWSA-N -1 3 561.690 5.865 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029409191 562021303 /nfs/dbraw/zinc/02/13/03/562021303.db2.gz CAWNZVPASQNMIX-RNAHPLFWSA-N -1 3 561.690 5.865 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C(=O)N4CCCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029412738 562022135 /nfs/dbraw/zinc/02/21/35/562022135.db2.gz TUNPEYHPFDHVPJ-SBVPHTNJSA-N -1 3 658.807 5.642 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C(=O)N4CCCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029412738 562022136 /nfs/dbraw/zinc/02/21/36/562022136.db2.gz TUNPEYHPFDHVPJ-SBVPHTNJSA-N -1 3 658.807 5.642 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4CCC[C@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029484426 562027957 /nfs/dbraw/zinc/02/79/57/562027957.db2.gz HFSBXIQXFLGAIT-KHMDJKJYSA-N -1 3 561.690 5.721 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4CCC[C@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029484426 562027959 /nfs/dbraw/zinc/02/79/59/562027959.db2.gz HFSBXIQXFLGAIT-KHMDJKJYSA-N -1 3 561.690 5.721 1 0 KKAFHM COc1ccc2c(c1)[C@@H]1[C@@H](CCN1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040420214 562075673 /nfs/dbraw/zinc/07/56/73/562075673.db2.gz VODSKNZEQBMLAF-ZTOMLWHTSA-N -1 3 501.671 6.001 1 0 KKAFHM CCC[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000040503704 562077561 /nfs/dbraw/zinc/07/75/61/562077561.db2.gz LOCBLQJJQNFLIP-SSEXGKCCSA-N -1 3 514.633 6.323 1 0 KKAFHM CCC[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000040503704 562077562 /nfs/dbraw/zinc/07/75/62/562077562.db2.gz LOCBLQJJQNFLIP-SSEXGKCCSA-N -1 3 514.633 6.323 1 0 KKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@@H]1CC(=O)N(c2cccc3c2CCCC3)C1 ZINC000040568539 562078292 /nfs/dbraw/zinc/07/82/92/562078292.db2.gz LIVUQQISMXOVEV-RUZDIDTESA-N -1 3 502.614 6.597 1 0 KKAFHM CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(C)=C\C(=O)Nc1ccc([O-])c(I)c1 ZINC000040835671 562080137 /nfs/dbraw/zinc/08/01/37/562080137.db2.gz UUCPSDWAZZDDLU-HPWKXKAUSA-N -1 3 517.451 7.467 1 0 KKAFHM Cc1cccc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CS(=O)(=O)C3[C@@H]2c2ccc(OCc3ccccc3)cc2F)n1 ZINC000044307926 562654113 /nfs/dbraw/zinc/65/41/13/562654113.db2.gz CLEOWFBQYYBWRR-HKBQPEDESA-N -1 3 613.711 6.684 1 0 in-vitro KKAFHM S=c1[n-]nc(CO[C@@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000044418739 562657338 /nfs/dbraw/zinc/65/73/38/562657338.db2.gz UYEDITUFSHKEFI-QFIPXVFZSA-N -1 3 538.464 5.398 1 0 KKAFHM O=C(NCC1CCC(C(=O)NCCN2CCCCC2)CC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045190058 562658478 /nfs/dbraw/zinc/65/84/78/562658478.db2.gz NJOBFCOSKGLBDH-UHFFFAOYSA-N -1 3 532.512 5.504 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NC1CCCCC1)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000045229435 562659561 /nfs/dbraw/zinc/65/95/61/562659561.db2.gz VMIHARYQSAULIE-VWLOTQADSA-N -1 3 516.604 6.596 1 0 KKAFHM Cn1c2ccccc2nc1NC(=O)[C@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045302388 562660658 /nfs/dbraw/zinc/66/06/58/562660658.db2.gz GFRJRYLMYOZEMF-SFHVURJKSA-N -1 3 523.420 5.744 1 0 KKAFHM O=C(NCCN1CCCCC1)c1ccc(CNC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000045302588 562660709 /nfs/dbraw/zinc/66/07/09/562660709.db2.gz SDMSMUDIMZLYGQ-UHFFFAOYSA-N -1 3 526.464 5.512 1 0 KKAFHM CC(C)(C)OC(=O)NCc1ccc([N-]c2nnc(-c3cccc(C(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)o2)cc1 ZINC000049614013 562666543 /nfs/dbraw/zinc/66/65/43/562666543.db2.gz IURSFQQMFYZTJK-UHFFFAOYSA-N -1 3 635.565 7.473 1 0 KKAFHM COc1ccc([C@H](CC[N-]S(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049677761 562668339 /nfs/dbraw/zinc/66/83/39/562668339.db2.gz XWEJKOCDJCMFCN-YWEHKCAJSA-N -1 3 674.845 5.354 1 0 KKAFHM C[C@@H](COc1cccc(CC(=O)[O-])c1)CN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049695102 562670184 /nfs/dbraw/zinc/67/01/84/562670184.db2.gz DMMRWDJRLGTEMM-XMMPIXPASA-N -1 3 596.089 8.335 1 0 KKAFHM CC(C)(CNC(=O)C1CCN(Cc2ccoc2)CC1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049710776 562671793 /nfs/dbraw/zinc/67/17/93/562671793.db2.gz ATIQRTXPYNSKER-UHFFFAOYSA-N -1 3 534.060 5.397 1 0 KKAFHM CC(C)(CNC(=O)C1CCN(Cc2ccoc2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049710776 562671794 /nfs/dbraw/zinc/67/17/94/562671794.db2.gz ATIQRTXPYNSKER-UHFFFAOYSA-N -1 3 534.060 5.397 1 0 KKAFHM C[C@H](CCOc1cccc(C(C)(C)C(=O)[O-])c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049723274 562673170 /nfs/dbraw/zinc/67/31/70/562673170.db2.gz DWBDSQMGSRVGMI-RUZDIDTESA-N -1 3 624.143 9.213 1 0 KKAFHM CCCCCC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000049762447 562676568 /nfs/dbraw/zinc/67/65/68/562676568.db2.gz ABCFTPQXLRMWMM-YSZBQJHXSA-N -1 3 530.553 8.059 1 0 KKAFHM CN(C)CCN1c2ccc(I)cc2C(=O)N([C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000049776368 562679457 /nfs/dbraw/zinc/67/94/57/562679457.db2.gz CHUHVISKSKMVCI-BJKOFHAPSA-N -1 3 652.316 5.516 1 0 KKAFHM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1nnc([N-]C(=O)c2ccc(F)cc2F)o1 ZINC000049777375 562679919 /nfs/dbraw/zinc/67/99/19/562679919.db2.gz XEEOUXAQHVRQGD-UHFFFAOYSA-N -1 3 531.321 7.024 1 0 KKAFHM CN[C@@H](Cn1c(=O)c(-c2cccc(OCCCCC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049841058 562687967 /nfs/dbraw/zinc/68/79/67/562687967.db2.gz PCOIOMHQQCRCRU-SANMLTNESA-N -1 3 645.625 5.925 1 0 KKAFHM CCCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccccc2Cl)s1 ZINC000049888644 562691368 /nfs/dbraw/zinc/69/13/68/562691368.db2.gz KRFOZGPCBWHLFL-SGEDCAFJSA-N -1 3 516.030 5.187 1 0 KKAFHM CCCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccccc2Cl)s1 ZINC000049888644 562691369 /nfs/dbraw/zinc/69/13/69/562691369.db2.gz KRFOZGPCBWHLFL-SGEDCAFJSA-N -1 3 516.030 5.187 1 0 KKAFHM O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049918154 562694530 /nfs/dbraw/zinc/69/45/30/562694530.db2.gz PIILVMISFQJEBR-QFIPXVFZSA-N -1 3 537.365 6.306 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326905 562702717 /nfs/dbraw/zinc/70/27/17/562702717.db2.gz SEMPSRFAOIWVCV-CQSZACIVSA-N -1 3 533.613 5.456 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(Cc2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327911 562702759 /nfs/dbraw/zinc/70/27/59/562702759.db2.gz AEYFSGNHKZUKIT-FQEVSTJZSA-N -1 3 591.671 6.095 1 0 KKAFHM CCCC(CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060329090 562702879 /nfs/dbraw/zinc/70/28/79/562702879.db2.gz LTKJXVCSBXHSNS-HNNXBMFYSA-N -1 3 533.588 5.379 1 0 KKAFHM CCCCN(C)C(=O)CCCCCCCCCCS[C@@H]1C(=O)c2cc([O-])ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21 ZINC000066261976 562715472 /nfs/dbraw/zinc/71/54/72/562715472.db2.gz QGAMWWULGQRYLA-XBYJKWJISA-N -1 3 571.868 7.731 1 0 KKAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccc(F)cc3-c3ccc([O-])c(Cl)c3)CC2)ccc1[O-] ZINC000068106049 562715775 /nfs/dbraw/zinc/71/57/75/562715775.db2.gz ICCARDNTCOUOPW-DHUJRADRSA-N -1 3 735.319 6.996 1 0 KKAFHM CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4c[n-]c5cc(C(F)(F)F)ccc5c4=O)c3)cc2C(F)(F)F)CC1 ZINC000072112788 562722228 /nfs/dbraw/zinc/72/22/28/562722228.db2.gz WYUZMROWCYDDMT-UHFFFAOYSA-N -1 3 659.631 6.516 3 0 KKAFHM Cc1c2cc(NC(=O)C3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccccn4)c5C4CCCCC4)CCN(C)CC3)ccc2sc1C(=O)[O-] ZINC000072133968 562727074 /nfs/dbraw/zinc/72/70/74/562727074.db2.gz UOWZWLAUOYTRMI-UHFFFAOYSA-N -1 3 663.844 7.342 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC3CCCCC3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073141715 562733699 /nfs/dbraw/zinc/73/36/99/562733699.db2.gz XVGRRMHFBUOUSZ-WUFINQPMSA-N -1 3 596.580 7.836 1 0 KKAFHM O=C(NCCN1CCCC1)c1ccc(Oc2ncc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000073142441 562733817 /nfs/dbraw/zinc/73/38/17/562733817.db2.gz ZAYWNIIRYMQVOL-UHFFFAOYSA-N -1 3 569.898 5.461 1 0 KKAFHM O=S(=O)([N-]c1cc(-c2ccc3ncc(N4CCC(F)(F)CC4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073169051 562734781 /nfs/dbraw/zinc/73/47/81/562734781.db2.gz ZVLSVNCJSAVVGW-UHFFFAOYSA-N -1 3 533.963 5.521 1 0 KKAFHM CC(C)=CCc1cc(C(=O)Nc2cc3ccc(Oc4ccc(C(C)(C)C)cc4)c(C)c3oc2=O)ccc1[O-] ZINC000073170156 562734919 /nfs/dbraw/zinc/73/49/19/562734919.db2.gz VHTCSXHXGHEPIJ-UHFFFAOYSA-N -1 3 511.618 7.658 1 0 KKAFHM COc1cc(/C=C/c2cc(Br)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc([O-])c1C/C=C(\C)CCC=C(C)C ZINC000073198314 562735645 /nfs/dbraw/zinc/73/56/45/562735645.db2.gz GWXOZNLHECUCEI-KFNWDQBUSA-N -1 3 609.645 9.060 1 0 KKAFHM CCCc1cc(I)c([O-])c(-c2cc(CCC)cc(I)c2O)c1 ZINC000073295813 562737700 /nfs/dbraw/zinc/73/77/00/562737700.db2.gz NRFQDUTXRCIDDB-UHFFFAOYSA-N -1 3 522.164 5.879 1 0 KKAFHM CN1CCc2cc([O-])c3c4c2[C@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2cc(c(cc2CCN1C)O3)O4 ZINC000073351284 562738257 /nfs/dbraw/zinc/73/82/57/562738257.db2.gz CUWLASKQLWUARF-IZZNHLLZSA-N -1 3 548.639 6.645 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(Cl)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000082136658 562738947 /nfs/dbraw/zinc/73/89/47/562738947.db2.gz IBFVWOQHRRDNNC-NSOVKSMOSA-N -1 3 624.977 8.110 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc4ccccc4c3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000082136623 562738952 /nfs/dbraw/zinc/73/89/52/562738952.db2.gz ZJYXTZMDAXXAND-AJQTZOPKSA-N -1 3 640.592 8.609 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(Cl)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000082136655 562738981 /nfs/dbraw/zinc/73/89/81/562738981.db2.gz IBFVWOQHRRDNNC-VSGBNLITSA-N -1 3 624.977 8.110 1 0 KKAFHM Cc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000082138029 562739136 /nfs/dbraw/zinc/73/91/36/562739136.db2.gz QFGIJXOCXFOLFD-UHFFFAOYSA-N -1 3 630.516 7.129 1 0 KKAFHM COC(=O)c1cc(OC)c2c(c1-c1c3c(c(OC)cc1C(=O)Oc1c(Cl)cc(Cl)cc1C=C1SC(=O)[N-]C1=O)OCO3)OCO2 ZINC000082138082 562739185 /nfs/dbraw/zinc/73/91/85/562739185.db2.gz CTWSHXAYAWNVEW-BLLMUTORSA-N -1 3 676.439 5.465 1 0 KKAFHM CSCC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4[O-])n3c2)n(-c2ccccc2)n1 ZINC000082164881 562741308 /nfs/dbraw/zinc/74/13/08/562741308.db2.gz DTHLCVJWGVEPFM-UHFFFAOYSA-N -1 3 635.819 7.401 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)ccc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687355 562748922 /nfs/dbraw/zinc/74/89/22/562748922.db2.gz VTEPOEPLGVFUFO-NHCUHLMSSA-N -1 3 503.382 5.983 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084708787 562750218 /nfs/dbraw/zinc/75/02/18/562750218.db2.gz SCTFVOBWCCFLNG-UHFFFAOYSA-N -1 3 571.685 6.131 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084708787 562750219 /nfs/dbraw/zinc/75/02/19/562750219.db2.gz SCTFVOBWCCFLNG-UHFFFAOYSA-N -1 3 571.685 6.131 1 0 KKAFHM COc1cc(C(=O)N2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc(OC)c1[O-] ZINC000084759421 562752968 /nfs/dbraw/zinc/75/29/68/562752968.db2.gz YYKXKCPJBKZHFW-UHFFFAOYSA-N -1 3 552.618 5.365 1 0 KKAFHM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccccc1 ZINC000084804837 562753041 /nfs/dbraw/zinc/75/30/41/562753041.db2.gz BZPPUKJKOJHWKN-PIPMEXSNSA-N -1 3 528.497 5.347 1 0 KKAFHM COc1ccc(CCC(=O)c2c(O)cc([O-])c3c2O[C@H](c2ccc(O)cc2)[C@@H](C/C=C/c2ccc(O)cc2)C3)cc1 ZINC000085943059 562753463 /nfs/dbraw/zinc/75/34/63/562753463.db2.gz MVIWTYPPWJVLDO-FBSHADQWSA-N -1 3 552.623 6.729 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cn2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559217 562762676 /nfs/dbraw/zinc/76/26/76/562762676.db2.gz UQWKHTPMYQJVST-WXTAPIANSA-N -1 3 500.536 6.916 1 0 KKAFHM CC(C)(C)C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563552 562763976 /nfs/dbraw/zinc/76/39/76/562763976.db2.gz JYXFSDHTCRNPHC-VMPREFPWSA-N -1 3 541.629 8.691 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095565122 562764567 /nfs/dbraw/zinc/76/45/67/562764567.db2.gz GQPLODGYDYCVNT-LPBFERMMSA-N -1 3 650.625 5.084 1 0 KKAFHM Nc1ccnc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)c1 ZINC000095583708 562773000 /nfs/dbraw/zinc/77/30/00/562773000.db2.gz FVXZYFSAUPTDGT-UHFFFAOYSA-N -1 3 512.375 5.221 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095566817 562765336 /nfs/dbraw/zinc/76/53/36/562765336.db2.gz MLNWPGCJBNVZPL-PYAKLNENSA-N -1 3 706.265 5.327 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567031 562765450 /nfs/dbraw/zinc/76/54/50/562765450.db2.gz DEMCBGNJFOTASI-WAPJKPAKSA-N -1 3 638.589 5.214 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095567310 562765692 /nfs/dbraw/zinc/76/56/92/562765692.db2.gz HOBLGNRWGMWRGX-SUERDDPBSA-N -1 3 789.971 6.389 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568560 562766765 /nfs/dbraw/zinc/76/67/65/562766765.db2.gz DEMCBGNJFOTASI-LNIFMVABSA-N -1 3 638.589 5.214 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570843 562768559 /nfs/dbraw/zinc/76/85/59/562768559.db2.gz VYACBIYDVUCBDQ-BCRFLOQVSA-N -1 3 641.017 5.800 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095571489 562769062 /nfs/dbraw/zinc/76/90/62/562769062.db2.gz HPUMWFTUTXMAAY-GJCZEXATSA-N -1 3 613.780 5.507 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095572353 562769399 /nfs/dbraw/zinc/76/93/99/562769399.db2.gz NMDOCVFQUCJPCA-SFHVURJKSA-N -1 3 578.632 5.415 1 0 KKAFHM CCc1nc2ccn(CC3CCCCC3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095581715 562772285 /nfs/dbraw/zinc/77/22/85/562772285.db2.gz APNCHNPXBSTDKE-MHZLTWQESA-N -1 3 519.653 5.723 1 0 KKAFHM CCc1nc2ccn(CC3CCCCC3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095581715 562772286 /nfs/dbraw/zinc/77/22/86/562772286.db2.gz APNCHNPXBSTDKE-MHZLTWQESA-N -1 3 519.653 5.723 1 0 KKAFHM COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(C)c4oc3=O)ccc2[O-])c1 ZINC000095584777 562773400 /nfs/dbraw/zinc/77/34/00/562773400.db2.gz GXQJIWCVRRDOHO-UHFFFAOYSA-N -1 3 514.578 5.208 1 0 KKAFHM O=c1oc2ccc(Br)cc2cc1-c1csc(N2NC(C(F)(F)F)=C[C@@]2([O-])C(F)(F)F)n1 ZINC000095586319 562773948 /nfs/dbraw/zinc/77/39/48/562773948.db2.gz POFGAJMQVPMYAR-OAHLLOKOSA-N -1 3 528.228 5.058 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598882 562777633 /nfs/dbraw/zinc/77/76/33/562777633.db2.gz QMCFBRPLMVFDBX-GJWZSCNASA-N -1 3 740.285 7.087 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599280 562777917 /nfs/dbraw/zinc/77/79/17/562777917.db2.gz LFZLAWVTNRSJHJ-BYIYZAFRSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095599251 562777957 /nfs/dbraw/zinc/77/79/57/562777957.db2.gz VJCYIDWGRQBJPY-NCXSOUSFSA-N -1 3 628.648 5.400 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095599542 562778186 /nfs/dbraw/zinc/77/81/86/562778186.db2.gz ZMUNMDKTHUEIDP-XLCATFGMSA-N -1 3 645.797 5.575 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599622 562778211 /nfs/dbraw/zinc/77/82/11/562778211.db2.gz QMCFBRPLMVFDBX-CZWSTMTISA-N -1 3 740.285 7.087 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599942 562778509 /nfs/dbraw/zinc/77/85/09/562778509.db2.gz RPNLMNYQLLWISV-XHJPHHBRSA-N -1 3 740.316 5.396 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600095 562778621 /nfs/dbraw/zinc/77/86/21/562778621.db2.gz LTBMLRZREJTXIR-VUYBWUDLSA-N -1 3 736.353 5.565 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600148 562778639 /nfs/dbraw/zinc/77/86/39/562778639.db2.gz XMCNJBIDJBGVOV-BUACAMDTSA-N -1 3 716.297 5.797 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600090 562778651 /nfs/dbraw/zinc/77/86/51/562778651.db2.gz ZBBNPLMVFVREHD-IQRSPBMWSA-N -1 3 719.867 6.742 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095600209 562778686 /nfs/dbraw/zinc/77/86/86/562778686.db2.gz LGFCYAUQAJYOOY-HSFWNXDSSA-N -1 3 711.869 6.495 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095600288 562778805 /nfs/dbraw/zinc/77/88/05/562778805.db2.gz VJCYIDWGRQBJPY-NKQBKRSGSA-N -1 3 628.648 5.400 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095600445 562778929 /nfs/dbraw/zinc/77/89/29/562778929.db2.gz LGFCYAUQAJYOOY-OSYMNAPVSA-N -1 3 711.869 6.495 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600641 562779127 /nfs/dbraw/zinc/77/91/27/562779127.db2.gz NNHYDAJISGOSNF-BNJCFXFUSA-N -1 3 654.151 5.441 1 0 KKAFHM Nc1nc(=O)[n-]c2c1[C@@H](c1c3cc(Cl)ccc3[nH]c1-c1ccccc1)C=C(c1ccc(Cl)cc1)O2 ZINC000095601739 562779793 /nfs/dbraw/zinc/77/97/93/562779793.db2.gz BPAWASQNWLRXSI-LJQANCHMSA-N -1 3 501.373 6.373 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)c2ccccc2)OCCCC[C@H](C)O3)cc1 ZINC000095603010 562780316 /nfs/dbraw/zinc/78/03/16/562780316.db2.gz GKJKATRECIJKRW-JPWDMULGSA-N -1 3 665.853 5.364 1 0 KKAFHM CCCCNC(=O)Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1 ZINC000095603488 562780534 /nfs/dbraw/zinc/78/05/34/562780534.db2.gz GKWVDUNHGMFWTM-UHFFFAOYSA-N -1 3 677.058 5.457 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604567 562781071 /nfs/dbraw/zinc/78/10/71/562781071.db2.gz UIKXZKCHSBRXDR-NSWWAWACSA-N -1 3 705.840 6.434 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095605135 562781380 /nfs/dbraw/zinc/78/13/80/562781380.db2.gz CBAAPWVHONFTKW-VGBBWOKTSA-N -1 3 724.843 6.039 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605721 562781664 /nfs/dbraw/zinc/78/16/64/562781664.db2.gz UQRVVYXDOOLUAO-GAQVVXLESA-N -1 3 723.830 6.573 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCC(F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095607134 562782663 /nfs/dbraw/zinc/78/26/63/562782663.db2.gz MTMUFVRWSFFHDU-QLXKLKPCSA-N -1 3 503.511 7.223 1 0 KKAFHM COCCOCCO[C@H]([N-]C(=O)C(F)(F)C(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000095608078 562783345 /nfs/dbraw/zinc/78/33/45/562783345.db2.gz ASFQBMCEHHGOIW-VXDAHBTDSA-N -1 3 755.856 5.226 1 0 KKAFHM COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095751754 562788806 /nfs/dbraw/zinc/78/88/06/562788806.db2.gz XHKHZLHSPYTKDF-PVLYCHHLSA-N -1 3 690.838 5.965 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095819229 562789206 /nfs/dbraw/zinc/78/92/06/562789206.db2.gz JQXCVRFSCSGTFT-ZQLNOWDWSA-N -1 3 634.626 5.384 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825575 562789322 /nfs/dbraw/zinc/78/93/22/562789322.db2.gz NNHYDAJISGOSNF-GVNDJSPXSA-N -1 3 654.151 5.441 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095852419 562789581 /nfs/dbraw/zinc/78/95/81/562789581.db2.gz ACXUGZGLDHOICK-GWZRSYOGSA-N -1 3 637.843 5.415 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095861272 562789693 /nfs/dbraw/zinc/78/96/93/562789693.db2.gz JXVCNLJRMRUZKV-MEOLXUPJSA-N -1 3 681.852 5.144 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270939 562793519 /nfs/dbraw/zinc/79/35/19/562793519.db2.gz IYWBSTOLEAIXAO-PBPGXSGUSA-N -1 3 573.653 6.015 1 0 KKAFHM COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(OC)ccc(F)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096905566 562798547 /nfs/dbraw/zinc/79/85/47/562798547.db2.gz XRTQNYWTXVCCTQ-NVNQWMTLSA-N -1 3 540.607 5.313 1 0 KKAFHM O=C(c1[nH]c2[n-]c(=S)[nH]c(=S)c2c1-c1cc(Br)cc(Br)c1)c1ccccc1 ZINC000096921761 562801537 /nfs/dbraw/zinc/80/15/37/562801537.db2.gz QMUKTXAAUWWHFV-UHFFFAOYSA-N -1 3 521.259 6.332 1 0 KKAFHM CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)[C@@]2(CCc3c2ccc([O-])c3-c2cnn(C)c2)C1=O ZINC000096922346 562801795 /nfs/dbraw/zinc/80/17/95/562801795.db2.gz DNPPWNJXFINMBD-GDLZYMKVSA-N -1 3 546.549 5.727 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccc(C(=O)OCC)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103195881 562815827 /nfs/dbraw/zinc/81/58/27/562815827.db2.gz LNVZHRWXNYPHRE-UHFFFAOYSA-N -1 3 587.684 5.661 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccc(C(=O)OCC)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103195881 562815828 /nfs/dbraw/zinc/81/58/28/562815828.db2.gz LNVZHRWXNYPHRE-UHFFFAOYSA-N -1 3 587.684 5.661 1 0 KKAFHM CCCCc1nnc(NCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103209983 562816639 /nfs/dbraw/zinc/81/66/39/562816639.db2.gz MGONIYVTLWAWIE-UHFFFAOYSA-N -1 3 542.047 5.367 1 0 KKAFHM CCCCc1nnc(NCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103209983 562816640 /nfs/dbraw/zinc/81/66/40/562816640.db2.gz MGONIYVTLWAWIE-UHFFFAOYSA-N -1 3 542.047 5.367 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214485 562816912 /nfs/dbraw/zinc/81/69/12/562816912.db2.gz RGYWXVTXVOTVKU-UHFFFAOYSA-N -1 3 582.690 5.180 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2C(=O)OC)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214485 562816913 /nfs/dbraw/zinc/81/69/13/562816913.db2.gz RGYWXVTXVOTVKU-UHFFFAOYSA-N -1 3 582.690 5.180 1 0 KKAFHM C/C1=C\C[C@@H]2C[C@@H](C[C@]3(C=C[C@H](C)[C@@H](C4CCCCC4)O3)O2)OC(=O)c2cc(C)c([O-])cc2/C=C/C=C/[C@H](C)[C@@H]1O ZINC000103216896 562817158 /nfs/dbraw/zinc/81/71/58/562817158.db2.gz GRVQPMQMSRMJNS-KGHUUUROSA-N -1 3 562.747 7.189 1 0 KKAFHM CC[N@H+](CCCCCCOc1ccc(-c2coc3cc([O-])cc([O-])c3c2=O)cc1)Cc1ccccc1OC ZINC000103251921 562820372 /nfs/dbraw/zinc/82/03/72/562820372.db2.gz HDOGNYZGWBAVKL-UHFFFAOYSA-N -1 3 517.622 6.341 1 0 KKAFHM CC[N@@H+](CCCCCCOc1ccc(-c2coc3cc([O-])cc([O-])c3c2=O)cc1)Cc1ccccc1OC ZINC000103251921 562820373 /nfs/dbraw/zinc/82/03/73/562820373.db2.gz HDOGNYZGWBAVKL-UHFFFAOYSA-N -1 3 517.622 6.341 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254012 562820610 /nfs/dbraw/zinc/82/06/10/562820610.db2.gz YXQHJKFKRZDXHV-RDAVAYNZSA-N -1 3 620.530 6.290 1 0 KKAFHM CN(C)C[C@H](O)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cc1 ZINC000114035381 562827054 /nfs/dbraw/zinc/82/70/54/562827054.db2.gz ORIQSDOBBJPZTR-SANMLTNESA-N -1 3 536.459 6.846 1 0 KKAFHM CN(C)C[C@@H](O)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cc1 ZINC000114035378 562827071 /nfs/dbraw/zinc/82/70/71/562827071.db2.gz ORIQSDOBBJPZTR-AREMUKBSSA-N -1 3 536.459 6.846 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cncc(CCN2CCCC2)c1 ZINC000114037824 562827293 /nfs/dbraw/zinc/82/72/93/562827293.db2.gz PYESSZKEGKSKCF-UHFFFAOYSA-N -1 3 521.448 6.894 1 0 KKAFHM CN1CCN(CCc2cccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)c2)CC1 ZINC000114039012 562827296 /nfs/dbraw/zinc/82/72/96/562827296.db2.gz NHUPHFLEHBNBHY-UHFFFAOYSA-N -1 3 559.085 6.526 1 0 KKAFHM CN1CCC(n2cc(Nc3c4cc(-c5cc(F)c([O-])c(Cl)c5)ccc4ncc3S(C)(=O)=O)cn2)CC1 ZINC000114039350 562827435 /nfs/dbraw/zinc/82/74/35/562827435.db2.gz OKSIFUVLLACDNX-UHFFFAOYSA-N -1 3 530.025 5.010 1 0 KKAFHM CN1CCC(n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)cn2)CC1 ZINC000114039657 562827438 /nfs/dbraw/zinc/82/74/38/562827438.db2.gz CPYJCYCPESTRIX-UHFFFAOYSA-N -1 3 536.463 6.714 1 0 KKAFHM CCOc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000114359093 562828154 /nfs/dbraw/zinc/82/81/54/562828154.db2.gz SVBPWUVPKQFEHR-UHFFFAOYSA-N -1 3 552.631 5.628 1 0 KKAFHM Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc([C@@H]2C[C@@H]2c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000115373709 562828849 /nfs/dbraw/zinc/82/88/49/562828849.db2.gz LLAYWKQGNBCRJZ-MOPGFXCFSA-N -1 3 579.875 7.604 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](c2ccccc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138722739 562832135 /nfs/dbraw/zinc/83/21/35/562832135.db2.gz CRYUDAWLVJDEPD-VWLOTQADSA-N -1 3 578.632 5.296 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)C2CCCCC2)cc1F ZINC000138708190 562832137 /nfs/dbraw/zinc/83/21/37/562832137.db2.gz QTWBFGXNMPCXRX-VWLOTQADSA-N -1 3 601.732 7.016 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccccc2)cc1F ZINC000138722458 562832162 /nfs/dbraw/zinc/83/21/62/562832162.db2.gz BRNKWEOOMIDNEM-VWLOTQADSA-N -1 3 595.684 6.484 1 0 KKAFHM O=C(CCOc1ccc(F)cc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000138846818 562832193 /nfs/dbraw/zinc/83/21/93/562832193.db2.gz RRCKSQSALAFUBX-CUAXAMRHSA-N -1 3 549.089 5.420 1 0 KKAFHM CCOc1cc(C)nc2c(OCC)cc(CN3CCC4(CN(c5ccc(C(=O)[O-])cc5)C(=O)O4)CC3)cc12 ZINC000144515689 562836292 /nfs/dbraw/zinc/83/62/92/562836292.db2.gz UZAYJKVDBMDXNB-UHFFFAOYSA-N -1 3 519.598 5.030 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2cc[nH]c2c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146991209 562838973 /nfs/dbraw/zinc/83/89/73/562838973.db2.gz JCUYVMYIZDQZHG-AWEZNQCLSA-N -1 3 534.535 5.179 1 0 KKAFHM CC(C)n1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c2cc(-c3ccc(F)c(F)c3F)ccc21 ZINC000147730305 562839507 /nfs/dbraw/zinc/83/95/07/562839507.db2.gz MVWDXCYLLBYTQK-UHFFFAOYSA-N -1 3 577.603 6.996 1 0 KKAFHM Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc([N-]S(=O)(=O)c5cccc(S(C)(=O)=O)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000150538921 562844078 /nfs/dbraw/zinc/84/40/78/562844078.db2.gz VKOHBAFPRYGTSG-UHFFFAOYSA-N -1 3 858.531 6.219 1 0 KKAFHM COc1cc([N-]S(C)(=O)=O)cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1 ZINC000150603145 562847382 /nfs/dbraw/zinc/84/73/82/562847382.db2.gz MAKUTQULODJGHN-DEOSSOPVSA-N -1 3 647.480 5.538 1 0 KKAFHM CN(C)c1nc(N[C@H]2CC[C@H](C[N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000168807267 562851554 /nfs/dbraw/zinc/85/15/54/562851554.db2.gz GPEOXJGBWGMANI-WOVMCDHWSA-N -1 3 602.477 5.306 1 0 KKAFHM O=C(NCCc1ccc(C(F)(F)F)cc1)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[n-]2)cc1 ZINC000169119475 562851642 /nfs/dbraw/zinc/85/16/42/562851642.db2.gz YERFWILVHILSAE-UHFFFAOYSA-N -1 3 530.506 5.973 1 0 KKAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[NH+]2CCC(OC(=O)Nc3ccccc3-c3cc(F)c([O-])cc3F)CC2)ccc1[O-] ZINC000169321652 562856710 /nfs/dbraw/zinc/85/67/10/562856710.db2.gz PBXXNFYJZUROSJ-DHUJRADRSA-N -1 3 718.864 6.481 1 0 KKAFHM CCOc1nc2cccc(NC(=O)c3cccc(Cl)c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324693 562857406 /nfs/dbraw/zinc/85/74/06/562857406.db2.gz AYYWYNVFEBOQFY-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(NC(=O)c3cccc(Cl)c3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324693 562857407 /nfs/dbraw/zinc/85/74/07/562857407.db2.gz AYYWYNVFEBOQFY-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3cccc(OC)c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324755 562857443 /nfs/dbraw/zinc/85/74/43/562857443.db2.gz TVVPPVZUEMUDGD-UHFFFAOYSA-N -1 3 545.603 5.591 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3cccc(OC)c3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324755 562857444 /nfs/dbraw/zinc/85/74/44/562857444.db2.gz TVVPPVZUEMUDGD-UHFFFAOYSA-N -1 3 545.603 5.591 1 0 KKAFHM CCCCNC(=S)[N-]S(=O)(=O)c1ccc(N2N=C(c3ccc(N(C)C)cc3)C[C@H]2c2ccccc2)cc1 ZINC000169339735 562860521 /nfs/dbraw/zinc/86/05/21/562860521.db2.gz GKATZDZIOXDRAA-MHZLTWQESA-N -1 3 535.739 5.061 1 0 KKAFHM CCCCNC(=S)[N-]S(=O)(=O)c1ccc(N2N=C(c3ccc(N(C)C)cc3)C[C@@H]2c2ccc(OC)cc2)cc1 ZINC000169339739 562860525 /nfs/dbraw/zinc/86/05/25/562860525.db2.gz SKNKVFCMMYRYOQ-MUUNZHRXSA-N -1 3 565.765 5.070 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(=O)(=O)CCC(F)(F)F)c2F)n1 ZINC000169694659 562865502 /nfs/dbraw/zinc/86/55/02/562865502.db2.gz YCCLPJNCXZAVHV-LBPRGKRZSA-N -1 3 620.029 5.054 1 0 KKAFHM CN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)CC(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696284 562865930 /nfs/dbraw/zinc/86/59/30/562865930.db2.gz UDMBUOHYBXKLPN-LOSJGSFVSA-N -1 3 502.636 5.395 1 0 KKAFHM COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696403 562865986 /nfs/dbraw/zinc/86/59/86/562865986.db2.gz UASMMMRYYVQTHF-WUFINQPMSA-N -1 3 546.689 5.330 1 0 KKAFHM COCCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696374 562866000 /nfs/dbraw/zinc/86/60/00/562866000.db2.gz MQKYJLVLBNNQHJ-SXOMAYOGSA-N -1 3 505.636 5.719 1 0 KKAFHM CCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696391 562866024 /nfs/dbraw/zinc/86/60/24/562866024.db2.gz LDGPBAOTRNHWPT-JWQCQUIFSA-N -1 3 502.636 5.314 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000169696552 562866112 /nfs/dbraw/zinc/86/61/12/562866112.db2.gz UMPWSBHQMHQMDQ-NSOVKSMOSA-N -1 3 514.622 5.211 1 0 KKAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C4CCCC4)[C@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696491 562866114 /nfs/dbraw/zinc/86/61/14/562866114.db2.gz YMQRKYQPAORLQK-JWQCQUIFSA-N -1 3 501.583 5.112 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000169696553 562866130 /nfs/dbraw/zinc/86/61/30/562866130.db2.gz UMPWSBHQMHQMDQ-VSGBNLITSA-N -1 3 514.622 5.211 1 0 KKAFHM CCN(C)C(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696692 562866266 /nfs/dbraw/zinc/86/62/66/562866266.db2.gz DNVBOEMCMAUILF-RSXGOPAZSA-N -1 3 517.651 5.099 1 0 KKAFHM COc1ccc(C2(c3n[n-]c4c3[C@@H](c3ccccc3OC)N(c3ccc(-c5ccon5)cc3)C4=O)CC2)cc1 ZINC000169696929 562866372 /nfs/dbraw/zinc/86/63/72/562866372.db2.gz GKIWWGQPYVIAHH-MUUNZHRXSA-N -1 3 518.573 5.912 1 0 KKAFHM COc1ccc(C2(c3[n-]nc4c3[C@@H](c3ccccc3OC)N(c3ccc(-c5ccon5)cc3)C4=O)CC2)cc1 ZINC000169696929 562866373 /nfs/dbraw/zinc/86/63/73/562866373.db2.gz GKIWWGQPYVIAHH-MUUNZHRXSA-N -1 3 518.573 5.912 1 0 KKAFHM O=C([O-])[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)O[C@H](c1cc(Cl)cc(Cl)c1)c1cccnc12 ZINC000169703944 562868898 /nfs/dbraw/zinc/86/88/98/562868898.db2.gz LRAVDJRDDIEAQM-FCHUYYIVSA-N -1 3 553.364 6.524 1 0 KKAFHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@]2(C(=O)[O-])C[C@@H](OCc3ccccc3)CN12 ZINC000197884524 562872597 /nfs/dbraw/zinc/87/25/97/562872597.db2.gz SRFYAYKBKLOOMX-KBGHNRIXSA-N -1 3 670.354 5.195 1 0 KKAFHM O=S(=O)([N-]c1ccc(OCCC2CCOCC2)cc1F)c1ccc2c(c1)CCN(Cc1cnc(C(F)(F)F)nc1)C2 ZINC000203661430 562873991 /nfs/dbraw/zinc/87/39/91/562873991.db2.gz YJSIYSNPOBHQRI-UHFFFAOYSA-N -1 3 594.631 5.189 1 0 KKAFHM C[C@H](c1ccncc1)N1CCN(Cc2ccc(-c3ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1 ZINC000205445410 562875416 /nfs/dbraw/zinc/87/54/16/562875416.db2.gz DNTMCNBTTISIRL-LJQANCHMSA-N -1 3 523.521 5.940 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cc(CCN2CCCC2)cnc1C ZINC000219355284 562878141 /nfs/dbraw/zinc/87/81/41/562878141.db2.gz ZXMKELHBEVLGET-UHFFFAOYSA-N -1 3 535.475 7.202 1 0 KKAFHM CN(C)Cc1ccc(Nc2c(C(=O)C3CCCC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)cc1 ZINC000219381803 562878179 /nfs/dbraw/zinc/87/81/79/562878179.db2.gz KDAYLEBBCHJLHH-UHFFFAOYSA-N -1 3 518.032 7.578 1 0 KKAFHM CC[C@@H]1CC[C@@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[n-]4)nc(-c4cncc(Cl)c4)c32)C1 ZINC000219413483 562878191 /nfs/dbraw/zinc/87/81/91/562878191.db2.gz ZOUXNVYMQAYQQO-IEGYKGNPSA-N -1 3 550.063 5.074 1 0 KKAFHM CN1CCC(NC(=O)c2ccc(-c3ccc(-c4nc(-c5ccc(Cl)c(Cl)c5)cs4)cc3C(=O)[O-])cc2)CC1 ZINC000219596617 562878266 /nfs/dbraw/zinc/87/82/66/562878266.db2.gz MBOVQXVVEBDHKK-UHFFFAOYSA-N -1 3 566.510 6.973 1 0 KKAFHM Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)[N-][C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1 ZINC000224796783 562880578 /nfs/dbraw/zinc/88/05/78/562880578.db2.gz UQJLPEJPXGDDRP-DEOSSOPVSA-N -1 3 501.505 5.719 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cc2ccccc2s1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299823833 562883073 /nfs/dbraw/zinc/88/30/73/562883073.db2.gz BAWMELZRCOBQJO-AWEZNQCLSA-N -1 3 551.587 5.913 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=C[C@H](C)CCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299833929 562886328 /nfs/dbraw/zinc/88/63/28/562886328.db2.gz PGGPQRJFNUXTSW-HUUCEWRRSA-N -1 3 513.557 5.234 1 0 KKAFHM CC[C@H]1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000299833958 562886352 /nfs/dbraw/zinc/88/63/52/562886352.db2.gz PWFPKEHFLZSCDG-HOTGVXAUSA-N -1 3 527.584 5.624 1 0 KKAFHM CCC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000299834047 562886362 /nfs/dbraw/zinc/88/63/62/562886362.db2.gz RCMWQGKXOQCPHM-GTPINHCMSA-N -1 3 529.600 5.715 1 0 KKAFHM Cc1ccc(C[C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000299852414 562890883 /nfs/dbraw/zinc/89/08/83/562890883.db2.gz RNPSJKRCTCAWGS-XMMPIXPASA-N -1 3 623.738 6.987 1 0 KKAFHM CCN(CC)CCOc1ccc(C(=O)c2c(CCCC(=O)[O-])oc3ccccc32)cc1I ZINC000299853826 562891228 /nfs/dbraw/zinc/89/12/28/562891228.db2.gz QLXMMDUCEAYUQO-UHFFFAOYSA-N -1 3 549.405 5.396 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(CCN3CCc4cc(OC)c(OC)cc4C3)cc2)cc1 ZINC000473135964 562900911 /nfs/dbraw/zinc/90/09/11/562900911.db2.gz LYIZATOYFNWNKD-UHFFFAOYSA-N -1 3 601.725 5.366 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc1)CC2 ZINC000473136985 562901152 /nfs/dbraw/zinc/90/11/52/562901152.db2.gz VYGXGABSDMWRBM-UHFFFAOYSA-N -1 3 627.807 6.655 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473153355 562901975 /nfs/dbraw/zinc/90/19/75/562901975.db2.gz AVZQDUWMFOMBTG-OAHLLOKOSA-N -1 3 500.558 5.684 1 0 KKAFHM CC(C)CCSc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154329 562902090 /nfs/dbraw/zinc/90/20/90/562902090.db2.gz GHYIYWSZXUZKRO-OAHLLOKOSA-N -1 3 520.614 5.774 1 0 KKAFHM CCCCSc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154342 562902116 /nfs/dbraw/zinc/90/21/16/562902116.db2.gz GKFCVBQQNUGUOA-AWEZNQCLSA-N -1 3 506.587 5.528 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000473197877 562903680 /nfs/dbraw/zinc/90/36/80/562903680.db2.gz JTPDTMCQGLNTTC-DRGJWEBESA-N -1 3 557.522 5.751 1 0 KKAFHM C[C@@H](c1ccc(Cl)c(F)c1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473244488 562904817 /nfs/dbraw/zinc/90/48/17/562904817.db2.gz MJFAMCDWEPSBQU-ZJOUEHCJSA-N -1 3 563.041 5.600 1 0 KKAFHM COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc([C@@]([O-])(c5ccccc5)C(F)(F)F)n4)o3)nc2s1 ZINC000653661730 562905862 /nfs/dbraw/zinc/90/58/62/562905862.db2.gz SWDKZGZHCMKCKA-VWLOTQADSA-N -1 3 588.589 6.055 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653694217 562906960 /nfs/dbraw/zinc/90/69/60/562906960.db2.gz OJJWHKGWQZJHPO-IBGZPJMESA-N -1 3 650.676 5.558 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653697130 562907111 /nfs/dbraw/zinc/90/71/11/562907111.db2.gz TVPRVCAJOPWBKP-GOSISDBHSA-N -1 3 700.683 5.705 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NC[C@@H](O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653751556 562910707 /nfs/dbraw/zinc/91/07/07/562910707.db2.gz SJDPXOCKEUCGCI-SSEXGKCCSA-N -1 3 571.685 5.656 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NC[C@@H](O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653751556 562910708 /nfs/dbraw/zinc/91/07/08/562910708.db2.gz SJDPXOCKEUCGCI-SSEXGKCCSA-N -1 3 571.685 5.656 1 0 KKAFHM CCOc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653755612 562910918 /nfs/dbraw/zinc/91/09/18/562910918.db2.gz IARZZMIMDHNXOG-QHCPKHFHSA-N -1 3 571.685 6.172 1 0 KKAFHM CCOc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653755612 562910919 /nfs/dbraw/zinc/91/09/19/562910919.db2.gz IARZZMIMDHNXOG-QHCPKHFHSA-N -1 3 571.685 6.172 1 0 KKAFHM CO[N-]C(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 ZINC000653766358 562911614 /nfs/dbraw/zinc/91/16/14/562911614.db2.gz SANLWHHNMIXMJV-LVNUYWAMSA-N -1 3 527.790 7.397 1 0 KKAFHM COc1cc(/C=C/c2cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2 ZINC000028820047 291967648 /nfs/dbraw/zinc/96/76/48/291967648.db2.gz UPTXDGJFJGCFDE-NASSATPLSA-N -1 3 562.747 6.974 1 0 biogenic,in-vitro KKAFHM CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003842589 561683957 /nfs/dbraw/zinc/68/39/57/561683957.db2.gz AAZOKMBAJGOCHB-HPMVVLTCSA-N -1 3 561.690 5.649 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003842589 561683958 /nfs/dbraw/zinc/68/39/58/561683958.db2.gz AAZOKMBAJGOCHB-HPMVVLTCSA-N -1 3 561.690 5.649 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@@H]4[C@H](O3)ON3[C@H]4CCC3(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003842998 561684048 /nfs/dbraw/zinc/68/40/48/561684048.db2.gz FTQMHMPDLSMCCB-CYEWYGNNSA-N -1 3 617.754 6.226 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@@H]4[C@H](O3)ON3[C@H]4CCC3(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003842998 561684050 /nfs/dbraw/zinc/68/40/50/561684050.db2.gz FTQMHMPDLSMCCB-CYEWYGNNSA-N -1 3 617.754 6.226 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)NCC(=O)OCC)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000003915708 561684769 /nfs/dbraw/zinc/68/47/69/561684769.db2.gz OPIRQGFNWPCKCJ-UHFFFAOYSA-N -1 3 640.926 5.576 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)NCC(=O)OCC)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000003915708 561684771 /nfs/dbraw/zinc/68/47/71/561684771.db2.gz OPIRQGFNWPCKCJ-UHFFFAOYSA-N -1 3 640.926 5.576 1 0 KKAFHM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@H](c4nnn[n-]4)C3)ncn2)cc1C(F)(F)F ZINC000003965941 561691573 /nfs/dbraw/zinc/69/15/73/561691573.db2.gz JLATZOOYNDMRMO-SFHVURJKSA-N -1 3 525.604 6.334 1 0 KKAFHM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@H](c4nn[n-]n4)C3)ncn2)cc1C(F)(F)F ZINC000003965941 561691575 /nfs/dbraw/zinc/69/15/75/561691575.db2.gz JLATZOOYNDMRMO-SFHVURJKSA-N -1 3 525.604 6.334 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3occc3c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013470129 561713809 /nfs/dbraw/zinc/71/38/09/561713809.db2.gz CSDXUYVBDBLUJV-ZJGIAAPESA-N -1 3 506.643 5.712 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3ccoc3c2)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760919 561727657 /nfs/dbraw/zinc/72/76/57/561727657.db2.gz WHDVQUAEJOXCTD-ZJGIAAPESA-N -1 3 506.643 5.712 1 0 KKAFHM O=c1[n-]c(SCCCN2CCN(c3cccc4ccccc43)CC2)nc2sc(-c3ccccc3)cc21 ZINC000013761026 561727791 /nfs/dbraw/zinc/72/77/91/561727791.db2.gz KALFDTHGRWHRJE-UHFFFAOYSA-N -1 3 512.704 6.109 1 0 KKAFHM CCCCc1nc2ccc(N3CCCCC3=O)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013732071 561725279 /nfs/dbraw/zinc/72/52/79/561725279.db2.gz VDNYWPGFDZMZIL-UHFFFAOYSA-N -1 3 505.626 5.791 1 0 KKAFHM CCCCc1nc2ccc(N3CCCCC3=O)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013732071 561725280 /nfs/dbraw/zinc/72/52/80/561725280.db2.gz VDNYWPGFDZMZIL-UHFFFAOYSA-N -1 3 505.626 5.791 1 0 KKAFHM COc1ccc(C(OCCN2CCC[C@H](C(=O)[O-])C2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000013737906 561725705 /nfs/dbraw/zinc/72/57/05/561725705.db2.gz HSSYPZBJVLXPLH-FQEVSTJZSA-N -1 3 514.449 6.107 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804852 561731376 /nfs/dbraw/zinc/73/13/76/561731376.db2.gz LNVWENSCRCDQIR-HXUWFJFHSA-N -1 3 514.589 5.567 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804852 561731377 /nfs/dbraw/zinc/73/13/77/561731377.db2.gz LNVWENSCRCDQIR-HXUWFJFHSA-N -1 3 514.589 5.567 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)N(CC)CC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014293504 561739337 /nfs/dbraw/zinc/73/93/37/561739337.db2.gz LCKGAPBQWRRWRL-JGCGQSQUSA-N -1 3 614.754 5.894 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)N(CC)CC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014293504 561739338 /nfs/dbraw/zinc/73/93/38/561739338.db2.gz LCKGAPBQWRRWRL-JGCGQSQUSA-N -1 3 614.754 5.894 1 0 KKAFHM COc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)CN2CC(=O)N(CCC(C)C)CCC(C)C)cc1 ZINC000025992209 561764815 /nfs/dbraw/zinc/76/48/15/561764815.db2.gz OHMZTHZRNDTINA-JPHFWNGBSA-N -1 3 538.685 5.186 1 0 KKAFHM CCC(=O)O[C@@H](OC(=O)c1c2ccccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000026167567 561769493 /nfs/dbraw/zinc/76/94/93/561769493.db2.gz ZPRDWNKRZWTOOZ-XIFFEERXSA-N -1 3 577.641 6.844 1 0 KKAFHM CCC(=O)O[C@@H](OC(=O)c1c2ccccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000026167567 561769494 /nfs/dbraw/zinc/76/94/94/561769494.db2.gz ZPRDWNKRZWTOOZ-XIFFEERXSA-N -1 3 577.641 6.844 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026385982 561784396 /nfs/dbraw/zinc/78/43/96/561784396.db2.gz RGPBYKABVKOLGH-IBGZPJMESA-N -1 3 570.606 5.395 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026385982 561784398 /nfs/dbraw/zinc/78/43/98/561784398.db2.gz RGPBYKABVKOLGH-IBGZPJMESA-N -1 3 570.606 5.395 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026399525 561787981 /nfs/dbraw/zinc/78/79/81/561787981.db2.gz PAZMRVOQCBRFLK-UHFFFAOYSA-N -1 3 580.645 5.568 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026399525 561787982 /nfs/dbraw/zinc/78/79/82/561787982.db2.gz PAZMRVOQCBRFLK-UHFFFAOYSA-N -1 3 580.645 5.568 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC3CCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026400395 561788201 /nfs/dbraw/zinc/78/82/01/561788201.db2.gz DGZLOEDRQOBBFN-IBGZPJMESA-N -1 3 582.617 5.539 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC3CCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026400395 561788202 /nfs/dbraw/zinc/78/82/02/561788202.db2.gz DGZLOEDRQOBBFN-IBGZPJMESA-N -1 3 582.617 5.539 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026404352 561789543 /nfs/dbraw/zinc/78/95/43/561789543.db2.gz FHSOBZBIUBSIBZ-UHFFFAOYSA-N -1 3 574.597 5.302 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026404352 561789545 /nfs/dbraw/zinc/78/95/45/561789545.db2.gz FHSOBZBIUBSIBZ-UHFFFAOYSA-N -1 3 574.597 5.302 1 0 KKAFHM CCOC(=O)[C@H]1[N-]c2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(Oc2ccccc2)c1 ZINC000026652917 561808763 /nfs/dbraw/zinc/80/87/63/561808763.db2.gz ZVHOHJWIMLQFHI-QFIPXVFZSA-N -1 3 507.395 5.291 1 0 KKAFHM CCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026663864 561810784 /nfs/dbraw/zinc/81/07/84/561810784.db2.gz RHSCVUDKMZMOPM-UHFFFAOYSA-N -1 3 609.945 7.790 1 0 KKAFHM CCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026663864 561810786 /nfs/dbraw/zinc/81/07/86/561810786.db2.gz RHSCVUDKMZMOPM-UHFFFAOYSA-N -1 3 609.945 7.790 1 0 KKAFHM CCOC(=O)c1c(C)nc(CC)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000026845573 561826505 /nfs/dbraw/zinc/82/65/05/561826505.db2.gz COAGAIOJVXQZEW-UHFFFAOYSA-N -1 3 535.402 5.335 1 0 KKAFHM CCOC(=O)c1c(C)nc(CC)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000026845573 561826506 /nfs/dbraw/zinc/82/65/06/561826506.db2.gz COAGAIOJVXQZEW-UHFFFAOYSA-N -1 3 535.402 5.335 1 0 KKAFHM COc1c(C=O)c2c([O-])c(-c3c(C)cc4c(c3O)c(C=O)c(OC)c(OC)c4C(C)C)c(C)cc2c(C(C)C)c1OC ZINC000026982599 561831483 /nfs/dbraw/zinc/83/14/83/561831483.db2.gz NJHZJHLODSUBHZ-UHFFFAOYSA-N -1 3 574.670 7.594 1 0 KKAFHM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000027198393 561844698 /nfs/dbraw/zinc/84/46/98/561844698.db2.gz VRCKDEMDFQJSQX-IVWQJUNXSA-N -1 3 640.736 6.374 1 0 KKAFHM FC(F)(F)c1cc(COC[C@@H](c2ccccc2)N2CCN(CCCCc3nnn[n-]3)CC2)cc(C(F)(F)F)c1 ZINC000027517446 561861202 /nfs/dbraw/zinc/86/12/02/561861202.db2.gz VLROGTSVMJUONC-QHCPKHFHSA-N -1 3 556.555 5.136 1 0 KKAFHM COC(=O)c1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000027520541 561863708 /nfs/dbraw/zinc/86/37/08/561863708.db2.gz UIWAWEHKXPOTBJ-MUUNZHRXSA-N -1 3 534.524 5.049 1 0 KKAFHM O=C(c1cccc2ccccc21)N1CCN(Cc2cnc[nH]2)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2C1 ZINC000027563750 561871471 /nfs/dbraw/zinc/87/14/71/561871471.db2.gz LUWZAQHNTQFUNH-UHFFFAOYSA-N -1 3 537.645 5.026 1 0 KKAFHM CCCNC(=O)N([O-])c1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OCCC)c1OCCC ZINC000027715717 561880152 /nfs/dbraw/zinc/88/01/52/561880152.db2.gz KBAHSRMFGKKDMA-DHIUTWEWSA-N -1 3 546.661 6.198 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C(C)C)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718254 561880421 /nfs/dbraw/zinc/88/04/21/561880421.db2.gz RQHFYLDVMMJFGB-RTWAWAEBSA-N -1 3 518.607 5.734 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027737195 561882026 /nfs/dbraw/zinc/88/20/26/561882026.db2.gz QDQJVLNXDMBACO-UHFFFAOYSA-N -1 3 644.801 6.477 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027737195 561882027 /nfs/dbraw/zinc/88/20/27/561882027.db2.gz QDQJVLNXDMBACO-UHFFFAOYSA-N -1 3 644.801 6.477 1 0 KKAFHM CCCc1nc(CC)c(C(=O)O[C@@H](C)OC(=O)OC(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027742631 561882627 /nfs/dbraw/zinc/88/26/27/561882627.db2.gz LOBUHYOMONDDEY-LJQANCHMSA-N -1 3 560.655 5.748 1 0 KKAFHM CCCc1nc(CC)c(C(=O)O[C@@H](C)OC(=O)OC(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027742631 561882628 /nfs/dbraw/zinc/88/26/28/561882628.db2.gz LOBUHYOMONDDEY-LJQANCHMSA-N -1 3 560.655 5.748 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027742736 561882635 /nfs/dbraw/zinc/88/26/35/561882635.db2.gz HAODXFCPCFJKSK-UHFFFAOYSA-N -1 3 658.828 6.786 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027742736 561882637 /nfs/dbraw/zinc/88/26/37/561882637.db2.gz HAODXFCPCFJKSK-UHFFFAOYSA-N -1 3 658.828 6.786 1 0 KKAFHM COc1cc(O)c2c([O-])c3c(cc2c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1)O[C@H](C)[C@@H](C)C3=O ZINC000027762518 561884212 /nfs/dbraw/zinc/88/42/12/561884212.db2.gz OGLPFNHXTUEWNW-QKPAOTATSA-N -1 3 602.636 6.305 1 0 KKAFHM COc1cc([O-])c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1)O[C@H](C)[C@@H](C)C3=O ZINC000027762518 561884214 /nfs/dbraw/zinc/88/42/14/561884214.db2.gz OGLPFNHXTUEWNW-QKPAOTATSA-N -1 3 602.636 6.305 1 0 KKAFHM CN(C)c1nc(NC2CCC(C[N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028336031 561913375 /nfs/dbraw/zinc/91/33/75/561913375.db2.gz GPEOXJGBWGMANI-UHFFFAOYSA-N -1 3 602.477 5.306 1 0 KKAFHM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1Sc1ccc(NS(=O)(=O)CCCN2CCOCC2)cc1 ZINC000028385125 561920967 /nfs/dbraw/zinc/92/09/67/561920967.db2.gz FXBHMTSMPGNUKW-UHFFFAOYSA-N -1 3 654.132 6.188 1 0 KKAFHM CN(C)c1nc(NCC2CCC([N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028523138 561929815 /nfs/dbraw/zinc/92/98/15/561929815.db2.gz RYUJZKYTNJACIJ-UHFFFAOYSA-N -1 3 602.477 5.306 1 0 KKAFHM CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)CCC(=O)[O-] ZINC000028536338 561935008 /nfs/dbraw/zinc/93/50/08/561935008.db2.gz IUGWLGOMDZMDEM-SBUWMIOTSA-N -1 3 580.722 5.047 1 0 KKAFHM CCc1cc(Nc2cc(=O)n(CCCCCN3C[C@H]4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)[O-])cn6C5CC5)[C@@H]4C3)c(=O)[nH]2)ccc1C ZINC000028569522 561938218 /nfs/dbraw/zinc/93/82/18/561938218.db2.gz MVSJSTSMTQLHJA-INJOXJOKSA-N -1 3 684.813 5.409 1 0 KKAFHM COc1cc(C(=O)Oc2c(C)c3c(cc2O)[C@]2(C)CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)C[C@]5(C)CC[C@]4(C)[C@H]2C[C@H]3O)ccc1[O-] ZINC000028654550 561946567 /nfs/dbraw/zinc/94/65/67/561946567.db2.gz JDYANKPIJWCAEB-UWRVJLLNSA-N -1 3 590.757 7.167 1 0 KKAFHM CC1(C)CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1 ZINC000028755412 561955490 /nfs/dbraw/zinc/95/54/90/561955490.db2.gz MJDAXLNYJFXJNT-UHFFFAOYSA-N -1 3 516.609 5.059 1 0 KKAFHM CC1(C)CC(=O)NN=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1 ZINC000028755412 561955491 /nfs/dbraw/zinc/95/54/91/561955491.db2.gz MJDAXLNYJFXJNT-UHFFFAOYSA-N -1 3 516.609 5.059 1 0 KKAFHM CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cs1 ZINC000028770937 561961262 /nfs/dbraw/zinc/96/12/62/561961262.db2.gz FBZDLQUVQZVNAE-UHFFFAOYSA-N -1 3 500.696 5.654 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)cc(Cl)c1[O-] ZINC000028881715 561976942 /nfs/dbraw/zinc/97/69/42/561976942.db2.gz KFLZCSLZHWLCHY-HXUWFJFHSA-N -1 3 507.096 5.226 1 0 KKAFHM O=C(NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)[N-]C6=O)CCC5)cs1)OCc1ccccc1 ZINC000028897165 561979208 /nfs/dbraw/zinc/97/92/08/561979208.db2.gz QNQKERAATOMVGY-UHFFFAOYSA-N -1 3 522.586 5.243 1 0 KKAFHM COc1cc(C(=O)N2CC[C@]3(C=C(c4nnn[n-]4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000028962491 561984535 /nfs/dbraw/zinc/98/45/35/561984535.db2.gz MGZGBQUMQMLFIY-PMERELPUSA-N -1 3 573.028 5.710 1 0 KKAFHM COc1cc(C(=O)N2CC[C@]3(C=C(c4nn[n-]n4)CC3)Cc3ccccc32)ccc1NC(=O)c1cc(F)ccc1Cl ZINC000028962491 561984537 /nfs/dbraw/zinc/98/45/37/561984537.db2.gz MGZGBQUMQMLFIY-PMERELPUSA-N -1 3 573.028 5.710 1 0 KKAFHM CC(C)c1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)N=C2c1ccccc1F ZINC000029227296 562008506 /nfs/dbraw/zinc/00/85/06/562008506.db2.gz LFPRQWKLPAPNDB-FEGGQEBESA-N -1 3 663.758 5.110 1 0 KKAFHM CC(C)c1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)N=C2c1ccccc1F ZINC000029227296 562008508 /nfs/dbraw/zinc/00/85/08/562008508.db2.gz LFPRQWKLPAPNDB-FEGGQEBESA-N -1 3 663.758 5.110 1 0 KKAFHM CC[C@H](OC(=O)C=Cc1ccccc1)c1nc2c(cccc2C(F)(F)F)c([O-])c1C(=O)Nc1nccs1 ZINC000029237060 562009777 /nfs/dbraw/zinc/00/97/77/562009777.db2.gz FIYBDGDHQKAAGT-DXRVJIQQSA-N -1 3 527.524 5.963 1 0 KKAFHM CCCCc1nc2ccn(CC(=O)N(C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029394598 562018282 /nfs/dbraw/zinc/01/82/82/562018282.db2.gz GKEUJIWSZBCQCW-UHFFFAOYSA-N -1 3 572.673 5.099 1 0 KKAFHM CCCCc1nc2ccn(CC(=O)N(C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029394598 562018284 /nfs/dbraw/zinc/01/82/84/562018284.db2.gz GKEUJIWSZBCQCW-UHFFFAOYSA-N -1 3 572.673 5.099 1 0 KKAFHM CCCCc1nc2ccc([C@H]3C=CCO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029415960 562022843 /nfs/dbraw/zinc/02/28/43/562022843.db2.gz BKCPDAPEVIIOGF-HHHXNRCGSA-N -1 3 504.594 5.262 1 0 KKAFHM CCCCc1nc2ccc([C@H]3C=CCO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029415960 562022845 /nfs/dbraw/zinc/02/28/45/562022845.db2.gz BKCPDAPEVIIOGF-HHHXNRCGSA-N -1 3 504.594 5.262 1 0 KKAFHM CCCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ncnc2c1nc(-c1ccccc1)n2C ZINC000029478231 562026797 /nfs/dbraw/zinc/02/67/97/562026797.db2.gz HAZHABNARVKKNR-UHFFFAOYSA-N -1 3 515.625 5.684 1 0 KKAFHM CCCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ncnc2c1nc(-c1ccccc1)n2C ZINC000029478231 562026799 /nfs/dbraw/zinc/02/67/99/562026799.db2.gz HAZHABNARVKKNR-UHFFFAOYSA-N -1 3 515.625 5.684 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4C(c5ccccc5)=NO[C@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029485186 562028136 /nfs/dbraw/zinc/02/81/36/562028136.db2.gz KZTPDCDWHKWXHE-JGADYYLWSA-N -1 3 623.717 6.473 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4C(c5ccccc5)=NO[C@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029485186 562028137 /nfs/dbraw/zinc/02/81/37/562028137.db2.gz KZTPDCDWHKWXHE-JGADYYLWSA-N -1 3 623.717 6.473 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4CCCCN3O4)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029485807 562028251 /nfs/dbraw/zinc/02/82/51/562028251.db2.gz YYHQFJUAVZVBQY-RNAHPLFWSA-N -1 3 561.690 5.865 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4CCCCN3O4)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029485807 562028253 /nfs/dbraw/zinc/02/82/53/562028253.db2.gz YYHQFJUAVZVBQY-RNAHPLFWSA-N -1 3 561.690 5.865 1 0 KKAFHM CCCS(=O)(=O)c1cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCC[S@@](=O)c1ccc([O-])cc1 ZINC000029545514 562029748 /nfs/dbraw/zinc/02/97/48/562029748.db2.gz MXCWFRGNHBTWKI-WBWUHEJNSA-N -1 3 634.769 5.390 1 0 KKAFHM Cc1oc2c(c1CN1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)c(C)c(O)c(C)c2C ZINC000029566156 562034432 /nfs/dbraw/zinc/03/44/32/562034432.db2.gz STSBQJOWYHTJEK-IVZMSFFOSA-N -1 3 506.624 5.739 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccc(Br)cc1 ZINC000029572028 562035826 /nfs/dbraw/zinc/03/58/26/562035826.db2.gz JXOUXYDFQVCNIN-SVBPBHIXSA-N -1 3 737.666 6.952 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1c(F)c(F)cc(F)c1F ZINC000029571716 562035874 /nfs/dbraw/zinc/03/58/74/562035874.db2.gz QZPUALCFDWLUAX-ZEQRLZLVSA-N -1 3 698.732 8.065 1 0 KKAFHM COc1ccc([C@H]2Nc3cccc([O-])c3C(=O)N2Cc2ccccc2)cc1CSc1ccc(NC(C)=O)cc1 ZINC000038142025 562063409 /nfs/dbraw/zinc/06/34/09/562063409.db2.gz DWYMDWVNEIIEHC-PMERELPUSA-N -1 3 539.657 6.418 1 0 in-vitro KKAFHM CCCC(CCC)C(=O)[N-]C(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040411523 562075354 /nfs/dbraw/zinc/07/53/54/562075354.db2.gz AXNHBIFSEBGKDO-UHFFFAOYSA-N -1 3 506.861 7.281 1 0 KKAFHM CCCCc1nc2ccc([C@H](O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000040791334 562079720 /nfs/dbraw/zinc/07/97/20/562079720.db2.gz VPYMDXUSIYFZJY-NDEPHWFRSA-N -1 3 522.653 5.714 1 0 KKAFHM CCCCc1nc2ccc([C@H](O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000040791334 562079722 /nfs/dbraw/zinc/07/97/22/562079722.db2.gz VPYMDXUSIYFZJY-NDEPHWFRSA-N -1 3 522.653 5.714 1 0 KKAFHM C[C@@]12C=C(c3ccc(O)cc3O1)[C@H]1Oc3cc(-c4cc5ccc(O)cc5o4)cc(OC(=O)c4ccc([O-])cc4O)c3[C@H]1C2=O ZINC000103584225 560051481 /nfs/dbraw/zinc/05/14/81/560051481.db2.gz YZGCRYQEDYGFIA-PSUXHBTPSA-N -1 3 590.540 5.803 1 0 biogenic,in-vitro KKAFHM CC(C)(C)OC(=O)C[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000044352140 562655023 /nfs/dbraw/zinc/65/50/23/562655023.db2.gz RFTWUDRKAGUCMY-AOYPEHQESA-N -1 3 564.702 5.997 1 0 KKAFHM COc1cc([O-])c2c(c1CC=C(C)C)O[C@H](c1c(CC=C(C)C)cc(OC)c(OC)c1CC=C(C)C)[C@@H](O)C2=O ZINC000044404582 562656444 /nfs/dbraw/zinc/65/64/44/562656444.db2.gz DIHFZBKVRLYCFC-BZKUTMRRSA-N -1 3 550.692 6.621 1 0 KKAFHM Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3nc4ccccc4c(=O)[nH]3)c(SCc3ccccc3)cc2Cl)cc1 ZINC000044431062 562657738 /nfs/dbraw/zinc/65/77/38/562657738.db2.gz RYKMHRABGZZVGN-UHFFFAOYSA-N -1 3 591.114 6.643 1 0 KKAFHM CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)Nc1nccs1)[C@H](CC)c1ccccc1)N([O-])C=O ZINC000045195365 562658847 /nfs/dbraw/zinc/65/88/47/562658847.db2.gz NBZGVPFHHLUSOD-NGSHPTGOSA-N -1 3 528.719 5.363 1 0 KKAFHM NN=c1[nH]c2c(s1)-c1cccc(c1)Oc1ccc(O)cc1CCc1ccc([O-])c(c1)Oc1ccc-2cc1 ZINC000045254699 562659901 /nfs/dbraw/zinc/65/99/01/562659901.db2.gz FVSFFEGGHYTZKP-UHFFFAOYSA-N -1 3 509.587 6.857 1 0 KKAFHM CCCC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045357013 562661967 /nfs/dbraw/zinc/66/19/67/562661967.db2.gz SMMHHOCGIJTODW-HBGVWJBISA-N -1 3 502.499 7.279 1 0 KKAFHM Cc1cc2nc(N3C[C@H](C)C[C@H](C)C3)n(CC(=O)c3cc(C(C)(C)C)c([O-])c(C(C)(C)C)c3)c2cc1C ZINC000045387384 562662409 /nfs/dbraw/zinc/66/24/09/562662409.db2.gz KHKKQMMUVKMKGC-BGYRXZFFSA-N -1 3 503.731 7.319 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCc2ccccc21)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000048307346 562662987 /nfs/dbraw/zinc/66/29/87/562662987.db2.gz BMMQMGVWPFKTGH-VMPREFPWSA-N -1 3 565.541 7.629 1 0 KKAFHM O=C(NCC1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049605091 562665336 /nfs/dbraw/zinc/66/53/36/562665336.db2.gz NTWNZXPZZUWREI-IWWPJXLMSA-N -1 3 551.514 7.096 1 0 KKAFHM O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CNC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000049625738 562666840 /nfs/dbraw/zinc/66/68/40/562666840.db2.gz VHWLKOKJLCLMDO-UHFFFAOYSA-N -1 3 573.398 7.245 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NCc1cccc2ccccc21)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049639123 562667643 /nfs/dbraw/zinc/66/76/43/562667643.db2.gz XLUWKPPWXDSFNZ-PMERELPUSA-N -1 3 575.536 7.904 1 0 KKAFHM COc1ccc([C@@H](CCC[N-]S(=O)(=O)c2ccc(Cl)s2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049694459 562669366 /nfs/dbraw/zinc/66/93/66/562669366.db2.gz IDDBPMNXNXZKPM-UFHPHHKVSA-N -1 3 723.317 6.398 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000049694968 562670035 /nfs/dbraw/zinc/67/00/35/562670035.db2.gz UWMUSNFEUBBYGB-BHVANESWSA-N -1 3 655.199 7.232 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000049694968 562670036 /nfs/dbraw/zinc/67/00/36/562670036.db2.gz UWMUSNFEUBBYGB-BHVANESWSA-N -1 3 655.199 7.232 1 0 KKAFHM O=C([O-])[C@H]1CCCc2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21 ZINC000049695483 562670607 /nfs/dbraw/zinc/67/06/07/562670607.db2.gz OHQDOFBGVQTUAB-PMERELPUSA-N -1 3 622.127 8.967 1 0 KKAFHM O=C(NCCCc1ccccc1)c1csc([C@H]2CCCN(C(=O)c3ccc([O-])c(-c4cccc5ccccc54)c3)C2)n1 ZINC000049722770 562672529 /nfs/dbraw/zinc/67/25/29/562672529.db2.gz ZYSDYBGNNCPRPP-MHZLTWQESA-N -1 3 575.734 7.051 1 0 KKAFHM O=C([O-])C[C@@H]1CCN([C@H](CCc2ccccc2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049762555 562676647 /nfs/dbraw/zinc/67/66/47/562676647.db2.gz PVCUYYSXSXNIAS-ZPZUNKDASA-N -1 3 550.543 7.721 1 0 KKAFHM CC1(C)C[C@H]([N-]C(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049781423 562683063 /nfs/dbraw/zinc/68/30/63/562683063.db2.gz MCGIWMYXNXWIGG-FQEVSTJZSA-N -1 3 541.809 6.722 1 0 KKAFHM N[C@@H](Cn1c(=O)c(-c2cccc(OCCCCCC(=O)[O-])c2F)cn(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049833107 562687517 /nfs/dbraw/zinc/68/75/17/562687517.db2.gz MXOCHUKULSSMCN-SANMLTNESA-N -1 3 631.598 5.746 1 0 KKAFHM CCCCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccccc2Cl)s1 ZINC000049882042 562691315 /nfs/dbraw/zinc/69/13/15/562691315.db2.gz HOOCSKXJUWSNQR-OHYPFYFLSA-N -1 3 530.057 5.577 1 0 KKAFHM CCCCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccccc2Cl)s1 ZINC000049882042 562691316 /nfs/dbraw/zinc/69/13/16/562691316.db2.gz HOOCSKXJUWSNQR-OHYPFYFLSA-N -1 3 530.057 5.577 1 0 KKAFHM C[C@@H]1CC[C@H](C)N1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898789 562692827 /nfs/dbraw/zinc/69/28/27/562692827.db2.gz XBLHHIUFHRHWAV-ISILISOKSA-N -1 3 714.328 7.587 1 0 KKAFHM O=C(NCc1cccc2ccccc21)c1ccc(CNC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000049917594 562693612 /nfs/dbraw/zinc/69/36/12/562693612.db2.gz JVKJNDJBJDCLNG-UHFFFAOYSA-N -1 3 555.461 7.379 1 0 KKAFHM O=C(NCCc1ccc(Cl)c(Cl)c1)c1ccc(CNC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000049918017 562694353 /nfs/dbraw/zinc/69/43/53/562694353.db2.gz NYZJGIQZZHFXNS-UHFFFAOYSA-N -1 3 588.318 7.575 1 0 KKAFHM CC(C)CC1=C([O-])N(COC(=O)[C@@H](C)c2ccc(Oc3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000064361672 562704823 /nfs/dbraw/zinc/70/48/23/562704823.db2.gz SZNGJZRKYQQJBL-CUNXSJBXSA-N -1 3 536.650 5.087 1 0 KKAFHM COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000064447150 562705374 /nfs/dbraw/zinc/70/53/74/562705374.db2.gz CDMZVEYFVXRTRW-HXUWFJFHSA-N -1 3 504.067 5.459 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066156854 562713845 /nfs/dbraw/zinc/71/38/45/562713845.db2.gz QILUDTBVFILERX-DSNGTPCMSA-N -1 3 624.562 5.285 3 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000066157127 562713886 /nfs/dbraw/zinc/71/38/86/562713886.db2.gz RKFPRZNLXVJUNG-FQWYTPLZSA-N -1 3 627.807 5.815 3 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066166681 562714124 /nfs/dbraw/zinc/71/41/24/562714124.db2.gz JMGJNBNLVSLZKK-JQASONJCSA-N -1 3 631.770 5.646 3 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072113317 562722324 /nfs/dbraw/zinc/72/23/24/562722324.db2.gz VRYLYNVPWVHXSY-UHFFFAOYSA-N -1 3 638.769 5.832 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)OCOC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072113317 562722325 /nfs/dbraw/zinc/72/23/25/562722325.db2.gz VRYLYNVPWVHXSY-UHFFFAOYSA-N -1 3 638.769 5.832 1 0 KKAFHM CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118110 562723426 /nfs/dbraw/zinc/72/34/26/562723426.db2.gz BYDMEGUVWVMHOK-KAZGAHJFSA-N -1 3 552.071 5.047 1 0 KKAFHM CO[C@@H](CC[C@H](C)[C@H]1O[C@@]23C[C@H](OC(=O)C[C@H]([C@@H](C)O)OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H]1C)c1cc([O-])ccc1Br ZINC000072148887 562729944 /nfs/dbraw/zinc/72/99/44/562729944.db2.gz RHJPBGWFGOAEID-BEDNPZBZSA-N -1 3 671.622 5.149 1 0 in-vitro KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC(C)C)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073139772 562733515 /nfs/dbraw/zinc/73/35/15/562733515.db2.gz AWDKTLMYWKHMKD-DQEYMECFSA-N -1 3 556.515 6.912 1 0 KKAFHM CCCCNc1ccc2c(c1)[N-]C(=S)[C@@H](c1ccc(Cl)cc1)N([C@@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073139798 562733557 /nfs/dbraw/zinc/73/35/57/562733557.db2.gz NELKOIHGMMKSKX-JWQCQUIFSA-N -1 3 556.515 7.056 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(F)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073140510 562733602 /nfs/dbraw/zinc/73/36/02/562733602.db2.gz NGCVPNKDVBFMMI-NSOVKSMOSA-N -1 3 608.522 7.595 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(F)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073140507 562733615 /nfs/dbraw/zinc/73/36/15/562733615.db2.gz NGCVPNKDVBFMMI-WUFINQPMSA-N -1 3 608.522 7.595 1 0 KKAFHM Cc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000073161046 562734067 /nfs/dbraw/zinc/73/40/67/562734067.db2.gz OSCPGWPTNVWTPZ-UHFFFAOYSA-N -1 3 616.489 6.739 1 0 KKAFHM CCOC(=O)CCSc1nc2c([n-]1)c(Br)c(Br)c(Br)c2Br ZINC000073197789 562735499 /nfs/dbraw/zinc/73/54/99/562735499.db2.gz PVKXBVFJITVOTN-UHFFFAOYSA-N -1 3 565.907 5.658 1 0 KKAFHM COCc1cc(/C=C/c2cc([O-])c(C/C=C(\C)CCC=C(C)C)c(OC)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000073198315 562735660 /nfs/dbraw/zinc/73/56/60/562735660.db2.gz APXYCZRIDPDSNW-SBGFWRQFSA-N -1 3 574.802 8.444 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(Br)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000082136627 562738963 /nfs/dbraw/zinc/73/89/63/562738963.db2.gz QFNQCJBNRKDDAS-WUFINQPMSA-N -1 3 669.428 8.219 1 0 KKAFHM COc1cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc([O-])c1C/C=C(\C)CCC=C(C)C ZINC000082151130 562739917 /nfs/dbraw/zinc/73/99/17/562739917.db2.gz ZGLCZWKAIKZIQU-KFNWDQBUSA-N -1 3 546.748 8.003 1 0 KKAFHM O=C([N-]CCCN(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1)C(F)(F)F ZINC000084574476 562743369 /nfs/dbraw/zinc/74/33/69/562743369.db2.gz FMRNDEFTGOCQIQ-UHFFFAOYSA-N -1 3 662.628 5.181 1 0 KKAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cc(F)cc(F)c4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084632796 562745596 /nfs/dbraw/zinc/74/55/96/562745596.db2.gz XYVHEZGROKPBMY-UHFFFAOYSA-N -1 3 563.638 5.004 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)ccc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687358 562748880 /nfs/dbraw/zinc/74/88/80/562748880.db2.gz VTEPOEPLGVFUFO-SFTDATJTSA-N -1 3 503.382 5.983 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687664 562748975 /nfs/dbraw/zinc/74/89/75/562748975.db2.gz ROCKDFSXPIQWDD-LEWJYISDSA-N -1 3 519.837 6.498 1 0 KKAFHM COC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688298 562749117 /nfs/dbraw/zinc/74/91/17/562749117.db2.gz CEJQMALQGMVVLS-NHCUHLMSSA-N -1 3 536.934 6.349 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690624 562749653 /nfs/dbraw/zinc/74/96/53/562749653.db2.gz NEXMNIQEJWBCSO-LEWJYISDSA-N -1 3 519.837 6.498 1 0 KKAFHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-]c1ccc(OCCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)c(N2CCNCC2)c1 ZINC000095544848 562757971 /nfs/dbraw/zinc/75/79/71/562757971.db2.gz AJFCFFCXDVYDDM-UHFFFAOYSA-N -1 3 798.497 7.991 1 0 KKAFHM CC(C)(C)C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563550 562763986 /nfs/dbraw/zinc/76/39/86/562763986.db2.gz JYXFSDHTCRNPHC-URLMMPGGSA-N -1 3 541.629 8.691 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095566604 562765052 /nfs/dbraw/zinc/76/50/52/562765052.db2.gz DEMCBGNJFOTASI-PCFSMJPMSA-N -1 3 638.589 5.214 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095567368 562765724 /nfs/dbraw/zinc/76/57/24/562765724.db2.gz OBZCLBIQAQDRDY-QZCKSCMDSA-N -1 3 714.857 5.595 3 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570873 562768540 /nfs/dbraw/zinc/76/85/40/562768540.db2.gz FLOZMHQLKWUFJL-WAPJKPAKSA-N -1 3 655.044 5.729 1 0 KKAFHM Cc1cn([C@H]2CCCN([C@H](CC(C)C)c3ccc(C(=O)[O-])c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095572257 562769415 /nfs/dbraw/zinc/76/94/15/562769415.db2.gz DUMBOKZAFBZKLT-XUZZJYLKSA-N -1 3 526.033 5.413 1 0 in-vitro KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccc2ncccc2c1 ZINC000095575669 562770392 /nfs/dbraw/zinc/77/03/92/562770392.db2.gz UPJDFRIWUCMTHX-WOJGMQOQSA-N -1 3 655.799 6.982 1 0 KKAFHM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)nc1 ZINC000095576413 562770633 /nfs/dbraw/zinc/77/06/33/562770633.db2.gz CYFBJCFTYDXWSH-GZTJUZNOSA-N -1 3 619.766 6.137 1 0 KKAFHM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)cn1 ZINC000095576360 562770635 /nfs/dbraw/zinc/77/06/35/562770635.db2.gz ROCIVHVPHHVHSU-LICLKQGHSA-N -1 3 635.765 5.837 1 0 KKAFHM Cc1ccc(Nc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1C ZINC000095577438 562770923 /nfs/dbraw/zinc/77/09/23/562770923.db2.gz XIHOVVIFTSOLQE-MRXNPFEDSA-N -1 3 538.567 5.391 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC2(CC(C(C)(C)C)=NO2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095577923 562771095 /nfs/dbraw/zinc/77/10/95/562771095.db2.gz CRVRTJHAALUFBX-QGZVFWFLSA-N -1 3 613.678 5.192 1 0 KKAFHM Cc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)n1 ZINC000095578113 562771140 /nfs/dbraw/zinc/77/11/40/562771140.db2.gz UWZWWSGFAOWINR-QGOAFFKASA-N -1 3 619.766 6.137 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1cnccn1 ZINC000095578550 562771317 /nfs/dbraw/zinc/77/13/17/562771317.db2.gz HSYRGNDZZZIGRY-NTEUORMPSA-N -1 3 606.727 5.224 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095598797 562777540 /nfs/dbraw/zinc/77/75/40/562777540.db2.gz BYUWMZXSAAGXAD-SEXOINJZSA-N -1 3 606.572 5.146 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599301 562777945 /nfs/dbraw/zinc/77/79/45/562777945.db2.gz NLNOREAGNASAOL-FVCFNFBRSA-N -1 3 643.872 5.476 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095599259 562777950 /nfs/dbraw/zinc/77/79/50/562777950.db2.gz ZIZWTQGIFKHADQ-UMQWNRPGSA-N -1 3 620.599 5.455 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600079 562778599 /nfs/dbraw/zinc/77/85/99/562778599.db2.gz AOVZEKKCHSEONH-GHVZQYPWSA-N -1 3 655.833 5.554 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095600637 562779084 /nfs/dbraw/zinc/77/90/84/562779084.db2.gz ISGWUMSRLISZDA-RLJUXYCZSA-N -1 3 720.760 7.030 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095601308 562779536 /nfs/dbraw/zinc/77/95/36/562779536.db2.gz CBAAPWVHONFTKW-DWLUSBQNSA-N -1 3 724.843 6.039 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603045 562780263 /nfs/dbraw/zinc/78/02/63/562780263.db2.gz UIKXZKCHSBRXDR-ZIZQKJAQSA-N -1 3 705.840 6.434 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604897 562781287 /nfs/dbraw/zinc/78/12/87/562781287.db2.gz MURCZWOVERITEN-XIWHWFKQSA-N -1 3 629.779 5.632 1 0 KKAFHM ClC(Cl)(Cl)c1nc2ccccc2c(SCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000095604963 562781292 /nfs/dbraw/zinc/78/12/92/562781292.db2.gz GVNHUCZFMUVWNR-UHFFFAOYSA-N -1 3 513.841 6.596 1 0 KKAFHM ClC(Cl)(Cl)c1nc2ccccc2c(SCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000095604963 562781293 /nfs/dbraw/zinc/78/12/93/562781293.db2.gz GVNHUCZFMUVWNR-UHFFFAOYSA-N -1 3 513.841 6.596 1 0 KKAFHM O=C([N-]c1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn21)Nc1cccc(Cl)c1 ZINC000095611437 562785024 /nfs/dbraw/zinc/78/50/24/562785024.db2.gz WMUVQLDTRXROGS-UHFFFAOYSA-N -1 3 735.622 7.562 1 0 KKAFHM Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095776093 562788981 /nfs/dbraw/zinc/78/89/81/562788981.db2.gz HXECTXYQHLRECE-ZIZQKJAQSA-N -1 3 719.898 5.051 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc4ccccc42)OCCCC[C@H](C)O3)cc1 ZINC000095775532 562789000 /nfs/dbraw/zinc/78/90/00/562789000.db2.gz LEWINKIRDBBWKO-MWBBNKDSSA-N -1 3 746.927 6.609 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095826360 562789284 /nfs/dbraw/zinc/78/92/84/562789284.db2.gz FLOZMHQLKWUFJL-QWQFASRJSA-N -1 3 655.044 5.729 1 0 KKAFHM CCCCCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286106 562796052 /nfs/dbraw/zinc/79/60/52/562796052.db2.gz WANPEYKEPQFXDL-AWEZNQCLSA-N -1 3 521.602 5.313 1 0 KKAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4CCN(C)CC4)nc32)c1 ZINC000096175747 562791964 /nfs/dbraw/zinc/79/19/64/562791964.db2.gz UWXGTHDUBMHDAY-UHFFFAOYSA-N -1 3 631.803 5.816 1 0 KKAFHM CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[n-]3)cc2)c(=O)n(C2CCN(Cc3ccccc3)CC2)c2ncnn21 ZINC000096178367 562792656 /nfs/dbraw/zinc/79/26/56/562792656.db2.gz TZWZXMGFDAZSMG-UHFFFAOYSA-N -1 3 601.711 5.282 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)nc2c1 ZINC000096258268 562792885 /nfs/dbraw/zinc/79/28/85/562792885.db2.gz WIVGEPBMNUBYFN-UHFFFAOYSA-N -1 3 593.775 5.056 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096271001 562793676 /nfs/dbraw/zinc/79/36/76/562793676.db2.gz QHEQLRKMHMJZSR-CQSZACIVSA-N -1 3 559.969 5.263 1 0 KKAFHM CCCCCCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286105 562796068 /nfs/dbraw/zinc/79/60/68/562796068.db2.gz FMHSPGIJDFZMJT-OAHLLOKOSA-N -1 3 535.629 5.703 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286083 562796074 /nfs/dbraw/zinc/79/60/74/562796074.db2.gz CMGKRLSKYRYWCJ-CYBMUJFWSA-N -1 3 519.586 5.066 1 0 KKAFHM Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)c([O-])c2)c1 ZINC000096909588 562799636 /nfs/dbraw/zinc/79/96/36/562799636.db2.gz STZFLPFWXMKCLF-RBISFHTESA-N -1 3 503.643 5.164 1 0 KKAFHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4cccc(C(F)(F)F)c4)nc3c2)c1F ZINC000096937586 562804282 /nfs/dbraw/zinc/80/42/82/562804282.db2.gz XYGOORIUFIDMLY-UHFFFAOYSA-N -1 3 539.486 5.326 1 0 KKAFHM COc1cc2c3cc1Oc1cc(ccc1[O-])C[C@@H]1c4c(cc(OC)c5c4Oc4ccc(cc4CO5)C[C@H]3N(C)CC2)CCN1C ZINC000102142246 562812746 /nfs/dbraw/zinc/81/27/46/562812746.db2.gz CQWDLZVYIHGYLN-VSGBNLITSA-N -1 3 606.719 6.743 1 0 KKAFHM CCOC(=O)CCN(Cc1ccccc1)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000103201965 562816137 /nfs/dbraw/zinc/81/61/37/562816137.db2.gz CBQOABKBYVHNLI-UHFFFAOYSA-N -1 3 548.011 5.993 1 0 KKAFHM CCOC(=O)CCN(Cc1ccccc1)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 ZINC000103201965 562816138 /nfs/dbraw/zinc/81/61/38/562816138.db2.gz CBQOABKBYVHNLI-UHFFFAOYSA-N -1 3 548.011 5.993 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2C)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103212957 562816819 /nfs/dbraw/zinc/81/68/19/562816819.db2.gz ORILTBUEVGYFCF-UHFFFAOYSA-N -1 3 538.681 5.702 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2C)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103212957 562816820 /nfs/dbraw/zinc/81/68/20/562816820.db2.gz ORILTBUEVGYFCF-UHFFFAOYSA-N -1 3 538.681 5.702 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2Cl)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214417 562816918 /nfs/dbraw/zinc/81/69/18/562816918.db2.gz BPPARIZKVOGIKF-UHFFFAOYSA-N -1 3 559.099 6.047 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2Cl)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214417 562816919 /nfs/dbraw/zinc/81/69/19/562816919.db2.gz BPPARIZKVOGIKF-UHFFFAOYSA-N -1 3 559.099 6.047 1 0 KKAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cccc3ccccc32)cc1Cl ZINC000103224447 562817576 /nfs/dbraw/zinc/81/75/76/562817576.db2.gz DKOLGDQJSMNOIV-UHFFFAOYSA-N -1 3 575.137 5.066 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1 ZINC000103260869 562821261 /nfs/dbraw/zinc/82/12/61/562821261.db2.gz HKDLWHWCJPIJIX-QHCPKHFHSA-N -1 3 617.454 5.529 1 0 KKAFHM CCCc1nn2ccc(C(=O)N[C@@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103263778 562821775 /nfs/dbraw/zinc/82/17/75/562821775.db2.gz NYTRIMDNZMDDMC-PMERELPUSA-N -1 3 555.686 6.606 1 0 KKAFHM CCCc1nn2ccc(C(=O)N[C@@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103263778 562821776 /nfs/dbraw/zinc/82/17/76/562821776.db2.gz NYTRIMDNZMDDMC-PMERELPUSA-N -1 3 555.686 6.606 1 0 KKAFHM COc1cc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)ccc1C(=O)[O-] ZINC000113336737 562826469 /nfs/dbraw/zinc/82/64/69/562826469.db2.gz CLKNOEDGVNGHHQ-ISKXDESKSA-N -1 3 614.501 6.228 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@@H]1CC[C@@H](CN2CCN(C)CC2)C1 ZINC000114037814 562827229 /nfs/dbraw/zinc/82/72/29/562827229.db2.gz CJLPKWRRMUIYHI-WIYYLYMNSA-N -1 3 527.496 5.945 1 0 KKAFHM CC(=O)c1cnc2cc(C)c(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCN(C)CC2)nc1 ZINC000114038422 562827346 /nfs/dbraw/zinc/82/73/46/562827346.db2.gz BSUFGKZXTSIRRD-UHFFFAOYSA-N -1 3 520.008 5.801 1 0 KKAFHM CN(C)CCNc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cn1 ZINC000114038543 562827382 /nfs/dbraw/zinc/82/73/82/562827382.db2.gz ILTPXPCWECMALW-UHFFFAOYSA-N -1 3 536.463 6.619 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4nc(-c5ccccc5)oc4-c4ccccc4)CC3)OC2=O)cc1 ZINC000114360116 562828134 /nfs/dbraw/zinc/82/81/34/562828134.db2.gz PPUSDAXZPKIZAG-UHFFFAOYSA-N -1 3 509.562 5.698 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cc5c(cc4-c4cc(F)c(F)cc4F)CCC5)CC3)OC2=O)cc1 ZINC000114360351 562828160 /nfs/dbraw/zinc/82/81/60/562828160.db2.gz XJMPEXDRHBRUQY-UHFFFAOYSA-N -1 3 536.550 5.949 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4cccc(C(F)(F)F)c4)CC3)OC2=O)cc1 ZINC000114359220 562828164 /nfs/dbraw/zinc/82/81/64/562828164.db2.gz JVGSHVFKCQEETR-UHFFFAOYSA-N -1 3 582.623 6.764 1 0 KKAFHM Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc([C@H]2C[C@@H]2c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000115373711 562828838 /nfs/dbraw/zinc/82/88/38/562828838.db2.gz LLAYWKQGNBCRJZ-RTBURBONSA-N -1 3 579.875 7.604 1 0 KKAFHM Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc([C@H]2C[C@H]2c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000115373715 562828881 /nfs/dbraw/zinc/82/88/81/562828881.db2.gz LLAYWKQGNBCRJZ-RBUKOAKNSA-N -1 3 579.875 7.604 1 0 KKAFHM CC(C)c1cc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)n2-c2ccc3c(ccn3C)c2)c([O-])cc1O ZINC000115811568 562829089 /nfs/dbraw/zinc/82/90/89/562829089.db2.gz CROBZGNMKNEYMY-UHFFFAOYSA-N -1 3 532.000 5.632 1 0 KKAFHM COc1ccc(CC2CCSCC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000138460476 562831904 /nfs/dbraw/zinc/83/19/04/562831904.db2.gz KPHYOTMROGBMCV-UHFFFAOYSA-N -1 3 577.776 5.930 1 0 KKAFHM COc1ccc(CC2CCCCC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000138460587 562831951 /nfs/dbraw/zinc/83/19/51/562831951.db2.gz QICASWFXUGIMRP-UHFFFAOYSA-N -1 3 559.736 6.367 1 0 KKAFHM Cc1cccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000138625698 562832076 /nfs/dbraw/zinc/83/20/76/562832076.db2.gz YUQRQEBCGXLGEH-AREMUKBSSA-N -1 3 592.659 5.604 1 0 KKAFHM O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000138846928 562832217 /nfs/dbraw/zinc/83/22/17/562832217.db2.gz YBGRFXUKDXRZSD-YYULODDRSA-N -1 3 569.070 6.073 1 0 KKAFHM CC(C)N1CC[C@H](N(C)C(=O)Cn2c3cc(C(=O)[O-])sc3c(C3CCCCC3)c2-c2ccccc2)C1 ZINC000141680573 562833729 /nfs/dbraw/zinc/83/37/29/562833729.db2.gz RYYUKEJROBXCFE-QFIPXVFZSA-N -1 3 507.700 6.057 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C5(C(=O)[O-])CC5)cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000144600289 562836452 /nfs/dbraw/zinc/83/64/52/562836452.db2.gz WXUORDUXRJAZNF-UHFFFAOYSA-N -1 3 588.676 6.398 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145667689 562837441 /nfs/dbraw/zinc/83/74/41/562837441.db2.gz QPNGHFPZYQLQIF-CQSZACIVSA-N -1 3 528.955 5.956 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145667903 562837445 /nfs/dbraw/zinc/83/74/45/562837445.db2.gz QPNGHFPZYQLQIF-AWEZNQCLSA-N -1 3 528.955 5.956 1 0 KKAFHM Cc1cccc(N2CCN(c3cc(C(F)(F)F)ccc3CNC(=O)[C@@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)c1 ZINC000145858938 562837679 /nfs/dbraw/zinc/83/76/79/562837679.db2.gz RRARRNONYCUSSU-FQEVSTJZSA-N -1 3 592.659 5.271 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(Cc1ccc(Oc3ccccc3)nc1)CC2 ZINC000146029868 562837973 /nfs/dbraw/zinc/83/79/73/562837973.db2.gz LSNDYOBOEPMJKM-UHFFFAOYSA-N -1 3 560.633 6.773 1 0 KKAFHM COc1ccc(Br)c(C(=O)[N-]N2C(=O)CS[C@@H]2C2=C(Cl)c3ccccc3[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000150578450 562845409 /nfs/dbraw/zinc/84/54/09/562845409.db2.gz FDOQNEKCGTVVCN-XRHLQHRESA-N -1 3 638.798 7.497 1 0 KKAFHM O=C([N-]C(=O)N(Cc1ccccc1)c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1)c1c(F)cccc1F ZINC000150582181 562845530 /nfs/dbraw/zinc/84/55/30/562845530.db2.gz GKTUBNOCKPDWJL-UHFFFAOYSA-N -1 3 630.784 8.688 1 0 KKAFHM CCOCCN1C[C@@]23CC[C@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165391576 562850186 /nfs/dbraw/zinc/85/01/86/562850186.db2.gz XZIXUSDKGAOJJD-WHGPXECPSA-N -1 3 742.983 6.281 1 0 KKAFHM CC(C)c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc(Cl)c1[O-] ZINC000169345463 562861630 /nfs/dbraw/zinc/86/16/30/562861630.db2.gz RHTQRHNIJVBRPX-OAHLLOKOSA-N -1 3 601.606 5.125 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000169324780 562857477 /nfs/dbraw/zinc/85/74/77/562857477.db2.gz VJIBBYLWAMOLQY-UHFFFAOYSA-N -1 3 529.604 5.260 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000169324780 562857478 /nfs/dbraw/zinc/85/74/78/562857478.db2.gz VJIBBYLWAMOLQY-UHFFFAOYSA-N -1 3 529.604 5.260 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324722 562857489 /nfs/dbraw/zinc/85/74/89/562857489.db2.gz ZZPJAQHKUAWVTE-UHFFFAOYSA-N -1 3 564.049 5.914 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324722 562857490 /nfs/dbraw/zinc/85/74/90/562857490.db2.gz ZZPJAQHKUAWVTE-UHFFFAOYSA-N -1 3 564.049 5.914 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=O)NCc4ccccc4)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000169339682 562860428 /nfs/dbraw/zinc/86/04/28/562860428.db2.gz DFCFZQMUCJLXNH-PMERELPUSA-N -1 3 588.133 5.950 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=O)NCc4ccccc4)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000169339681 562860470 /nfs/dbraw/zinc/86/04/70/562860470.db2.gz DFCFZQMUCJLXNH-SSEXGKCCSA-N -1 3 588.133 5.950 1 0 KKAFHM CCCCNC(=S)[N-]S(=O)(=O)c1ccc(N2N=C(c3ccc(N(C)C)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000169339733 562860517 /nfs/dbraw/zinc/86/05/17/562860517.db2.gz GKATZDZIOXDRAA-HHHXNRCGSA-N -1 3 535.739 5.061 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc([N-]S(=O)(=O)c2cccc(-c3ccoc3)c2)cc1F ZINC000169344654 562861450 /nfs/dbraw/zinc/86/14/50/562861450.db2.gz VYGZVRWOGVFSLZ-UHFFFAOYSA-N -1 3 646.741 6.252 1 0 KKAFHM CC1=C[C@@H]2c3c([O-])cc(C=O)cc3O[C@@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000169352033 562863040 /nfs/dbraw/zinc/86/30/40/562863040.db2.gz RYHSERHDCIACPJ-HFBIQWOGSA-N -1 3 524.569 6.272 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696080 562865946 /nfs/dbraw/zinc/86/59/46/562865946.db2.gz KPEGKBZAPGWVBV-IZZNHLLZSA-N -1 3 502.636 5.314 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000169696765 562866333 /nfs/dbraw/zinc/86/63/33/562866333.db2.gz JTAPFYIQJGFBCZ-UIOOFZCWSA-N -1 3 500.620 5.349 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc2c(OC)cc(Cl)cc12 ZINC000169702650 562868497 /nfs/dbraw/zinc/86/84/97/562868497.db2.gz KELXIOZCLDWXBX-UHFFFAOYSA-N -1 3 525.001 5.590 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cn4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702639 562868501 /nfs/dbraw/zinc/86/85/01/562868501.db2.gz WRHMRXXDCYEZDD-UHFFFAOYSA-N -1 3 549.599 5.375 1 0 KKAFHM CCOc1cccc2c(OCC)cc(CN3CCC4(CN(c5ccc(C(=O)[O-])cc5)C(=O)O4)CC3)cc12 ZINC000169702649 562868520 /nfs/dbraw/zinc/86/85/20/562868520.db2.gz QCLRIQKOVGCXEA-UHFFFAOYSA-N -1 3 504.583 5.327 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4cncc(C(=O)[O-])c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702635 562868534 /nfs/dbraw/zinc/86/85/34/562868534.db2.gz JKDWPAKFOWWLKA-UHFFFAOYSA-N -1 3 549.599 5.375 1 0 KKAFHM Cn1c2cc(OCC(F)F)c(C(=O)[N-]c3c(F)ccc(F)c3F)cc2nc1Nc1c(Cl)ccc(CNC(=O)C(C)(C)C)c1Cl ZINC000169703151 562868644 /nfs/dbraw/zinc/86/86/44/562868644.db2.gz WDQZPBZSLKYYTA-UHFFFAOYSA-N -1 3 658.455 7.600 1 0 KKAFHM O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4nnc([N-]c5cccnc5)s4)ccn32)c1 ZINC000169704731 562869110 /nfs/dbraw/zinc/86/91/10/562869110.db2.gz BPAJYHCGDYVNDI-UHFFFAOYSA-N -1 3 510.505 5.342 1 0 KKAFHM CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C1=C([O-])c1ccc2c(c1OC)OCO2 ZINC000195969857 562872410 /nfs/dbraw/zinc/87/24/10/562872410.db2.gz ZGTFYUUHNMVNKA-NEWDRJDRSA-N -1 3 686.795 6.020 1 0 KKAFHM CC1CCC(Cn2c(N3CCO[C@@H]4CN(Cc5ccccc5)CC[C@H]43)nc3cc(-c4noc(=O)[n-]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209642498 562876919 /nfs/dbraw/zinc/87/69/19/562876919.db2.gz PDFUVLMSDRPILV-MMJGTUOCSA-N -1 3 655.203 5.796 1 0 KKAFHM CCc1ccc(S(=O)(=O)NCCC[C@H]2C(=O)N(c3ccc(C)cc3)[C@@H]2c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000213955195 562877264 /nfs/dbraw/zinc/87/72/64/562877264.db2.gz BJEZAHLXDGEQSU-CZNDPXEESA-N -1 3 631.820 6.129 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CCN(C)CC5)cc4)c3c2)cc(Cl)c1[O-] ZINC000219352865 562878087 /nfs/dbraw/zinc/87/80/87/562878087.db2.gz TVOHPWPOEPGDRX-UHFFFAOYSA-N -1 3 557.094 6.353 1 0 KKAFHM Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)[N-][C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1 ZINC000224732442 562880501 /nfs/dbraw/zinc/88/05/01/562880501.db2.gz BPZZDANDHCEDPN-QFIPXVFZSA-N -1 3 502.493 5.114 1 0 KKAFHM O=C(OC1CCCCC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000224836445 562880575 /nfs/dbraw/zinc/88/05/75/562880575.db2.gz IVZRDIRGYVOUAI-UHFFFAOYSA-N -1 3 542.717 6.967 1 0 KKAFHM CC(C)(C)c1ccc(CC(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccc(OCCC5CCCCC5)cc4F)ccc3C2)cc1 ZINC000224824927 562880589 /nfs/dbraw/zinc/88/05/89/562880589.db2.gz IGWWDARSZPGOGA-UHFFFAOYSA-N -1 3 606.804 7.401 1 0 KKAFHM O=S(=O)([N-]CCCN1c2ccccc2CCc2ccccc21)c1cnc(Cl)c(Br)c1 ZINC000224993105 562880694 /nfs/dbraw/zinc/88/06/94/562880694.db2.gz XHDOYAHVKUJDDW-UHFFFAOYSA-N -1 3 506.853 5.103 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cc2ccccc2s1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299823834 562883135 /nfs/dbraw/zinc/88/31/35/562883135.db2.gz BAWMELZRCOBQJO-CQSZACIVSA-N -1 3 551.587 5.913 1 0 KKAFHM CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1ncc(F)cn1)c(F)cc2[O-] ZINC000299825343 562883552 /nfs/dbraw/zinc/88/35/52/562883552.db2.gz IGWZBERSISRSQT-UHFFFAOYSA-N -1 3 571.506 7.099 1 0 KKAFHM CC(C)C(=O)NCc1cnc(C(F)F)c(-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ccc3c(=O)[n-]2)c1 ZINC000299839297 562888184 /nfs/dbraw/zinc/88/81/84/562888184.db2.gz XQAWRPQETUPQHC-UHFFFAOYSA-N -1 3 516.470 6.293 1 0 KKAFHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@H]2C)S1 ZINC000299847676 562890004 /nfs/dbraw/zinc/89/00/04/562890004.db2.gz MFPPUBZRTCSQHK-RXUPKPBSSA-N -1 3 533.481 5.363 1 0 KKAFHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@@H](c3ccc(Cl)cc3)[C@H]2C)S1 ZINC000299847677 562890026 /nfs/dbraw/zinc/89/00/26/562890026.db2.gz MFPPUBZRTCSQHK-VGSGKQCPSA-N -1 3 533.481 5.363 1 0 KKAFHM O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(N2C(=O)[N-]C(=O)[C@@H]2c2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000299861972 562893451 /nfs/dbraw/zinc/89/34/51/562893451.db2.gz MGYUMOHSRAXWSJ-MHZLTWQESA-N -1 3 673.069 5.572 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(Cc2cccc(F)c2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473152640 562901847 /nfs/dbraw/zinc/90/18/47/562901847.db2.gz UQUDUASSLXPSAN-LJQANCHMSA-N -1 3 609.661 6.234 1 0 KKAFHM CCCCCOc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473153917 562902020 /nfs/dbraw/zinc/90/20/20/562902020.db2.gz CZHCINKNKMAMFO-HNNXBMFYSA-N -1 3 504.546 5.205 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154634 562902220 /nfs/dbraw/zinc/90/22/20/562902220.db2.gz JQZMWSZSMXCCMZ-HNNXBMFYSA-N -1 3 532.625 6.061 1 0 KKAFHM O=C(CCc1ccccc1)c1c(O)cc([O-])c2c1O[C@H](c1ccc(O)cc1)[C@@H](C/C=C/c1ccc(O)cc1)C2 ZINC000473169986 562903157 /nfs/dbraw/zinc/90/31/57/562903157.db2.gz PFBWKZPTSBKMPB-YPAIWGHGSA-N -1 3 522.597 6.720 1 0 KKAFHM C[C@@H](N)C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473198578 562903733 /nfs/dbraw/zinc/90/37/33/562903733.db2.gz PWNHLINSFSHUOG-ATZDWAIDSA-N -1 3 541.067 5.237 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000473198576 562903780 /nfs/dbraw/zinc/90/37/80/562903780.db2.gz PRXOLTBHQZKAOZ-MHPIHPPYSA-N -1 3 543.495 5.361 1 0 KKAFHM COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc([C@]([O-])(c5ccccc5)C(F)(F)F)n4)o3)nc2s1 ZINC000653661729 562905878 /nfs/dbraw/zinc/90/58/78/562905878.db2.gz SWDKZGZHCMKCKA-RUZDIDTESA-N -1 3 588.589 6.055 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653697077 562907067 /nfs/dbraw/zinc/90/70/67/562907067.db2.gz GEAZKIQQYDOFMM-LJQANCHMSA-N -1 3 699.148 6.080 1 0 KKAFHM COc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000653700699 562907357 /nfs/dbraw/zinc/90/73/57/562907357.db2.gz HSFMUBAUTKMLLS-HXUWFJFHSA-N -1 3 694.729 5.435 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(CC1CCCCC1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653713282 562908259 /nfs/dbraw/zinc/90/82/59/562908259.db2.gz WGCCHZUQFVRZFZ-FQEVSTJZSA-N -1 3 670.751 5.807 1 0 KKAFHM CSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653755613 562910892 /nfs/dbraw/zinc/91/08/92/562910892.db2.gz IBZARWXGSLQAJM-JOCHJYFZSA-N -1 3 573.726 6.496 1 0 KKAFHM CSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653755613 562910893 /nfs/dbraw/zinc/91/08/93/562910893.db2.gz IBZARWXGSLQAJM-JOCHJYFZSA-N -1 3 573.726 6.496 1 0 KKAFHM [O-]c1ccc(Cc2c(Br)[nH]c3cc(Br)c(Br)cc32)cc1Br ZINC000653903439 562917584 /nfs/dbraw/zinc/91/75/84/562917584.db2.gz YHXZFYBWLMYMNG-UHFFFAOYSA-N -1 3 538.859 6.514 1 0 KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@@H]3c4ccnc(N)c4C=C[C@H]3c3cccc(O)c3)c2OC1(C)C ZINC000085595237 565152736 /nfs/dbraw/zinc/15/27/36/565152736.db2.gz QYXWEPRWYJHFIM-IUMVEWCWSA-N -1 3 610.663 5.208 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@@H]3c4ccnc(N)c4C=C[C@H]3c3cccc(O)c3)c2OC1(C)C ZINC000085595237 565152739 /nfs/dbraw/zinc/15/27/39/565152739.db2.gz QYXWEPRWYJHFIM-IUMVEWCWSA-N -1 3 610.663 5.208 1 0 biogenic,in-vitro KKAFHM COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(O)c(OC)cc6CCN5C)ccc4[O-])c(OC)cc3CC[C@H]2C)cc1 ZINC000085648337 565169518 /nfs/dbraw/zinc/16/95/18/565169518.db2.gz QRDWMPVLZIOGCZ-QRMOXYPWSA-N -1 3 623.790 7.770 1 0 biogenic,in-vitro KKAFHM COc1cc([O-])c([C@H]2C[C@H](c3ccc(O)cc3)O[C@@H](CCc3ccc(O)cc3)C2)c2c1C(=O)C[C@H](c1ccc(O)cc1)O2 ZINC000044351804 291971092 /nfs/dbraw/zinc/97/10/92/291971092.db2.gz JHPJOKVLYIDVMB-CWWXYRFCSA-N -1 3 582.649 6.861 1 0 biogenic,in-vitro KKAFHM COc1cc2c3c4c1Oc1c(c([O-])cc5c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3N(C)CC2)N(C)CC5)O4 ZINC000085491073 291978254 /nfs/dbraw/zinc/97/82/54/291978254.db2.gz IYGYFDDOHBCDFF-DQEYMECFSA-N -1 3 578.665 6.654 1 0 biogenic,in-vitro KKAFHM O=C(Cc1ccccc1)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc([O-])cc2)c(O)c1-c1ccc(O)cc1 ZINC000085921694 291992082 /nfs/dbraw/zinc/99/20/82/291992082.db2.gz GPJNBFKFWGAZQB-UHFFFAOYSA-N -1 3 564.546 5.916 1 0 biogenic,in-vitro KKAFHM CCCCc1nc2ccn(CC(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001536620 561676902 /nfs/dbraw/zinc/67/69/02/561676902.db2.gz GFVMPKFUIYROKE-UHFFFAOYSA-N -1 3 543.631 5.319 1 0 KKAFHM CCCCc1nc2ccn(CC(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001536620 561676904 /nfs/dbraw/zinc/67/69/04/561676904.db2.gz GFVMPKFUIYROKE-UHFFFAOYSA-N -1 3 543.631 5.319 1 0 KKAFHM CCCCc1nnc([S@](=O)Cc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000002004074 561680343 /nfs/dbraw/zinc/68/03/43/561680343.db2.gz LURPQFIBDRQZSN-QNGWXLTQSA-N -1 3 532.073 5.477 1 0 KKAFHM CCCCc1nnc([S@](=O)Cc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000002004074 561680344 /nfs/dbraw/zinc/68/03/44/561680344.db2.gz LURPQFIBDRQZSN-QNGWXLTQSA-N -1 3 532.073 5.477 1 0 KKAFHM CCCCc1nc2ccc(C3=NN4CCCC[C@H]4C3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003843026 561684141 /nfs/dbraw/zinc/68/41/41/561684141.db2.gz KWMOYHJLSVDONG-VWLOTQADSA-N -1 3 558.690 5.597 1 0 KKAFHM CCCCc1nc2ccc(C3=NN4CCCC[C@H]4C3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003843026 561684144 /nfs/dbraw/zinc/68/41/44/561684144.db2.gz KWMOYHJLSVDONG-VWLOTQADSA-N -1 3 558.690 5.597 1 0 KKAFHM O=C(N[C@@H](COCc1ccccc1)CN1CCc2cc(F)ccc21)[C@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000006718423 561703111 /nfs/dbraw/zinc/70/31/11/561703111.db2.gz YYDWMUXZSMHCTN-DGPALRBDSA-N -1 3 570.709 6.482 1 0 KKAFHM CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000013447042 561713205 /nfs/dbraw/zinc/71/32/05/561713205.db2.gz FTVPGDNDCBOJKY-MUUNZHRXSA-N -1 3 514.670 5.560 1 0 KKAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)CCO4)nc2)cc1OC ZINC000013491049 561716299 /nfs/dbraw/zinc/71/62/99/561716299.db2.gz ARUDTVSADAVYSN-GDLZYMKVSA-N -1 3 518.573 5.047 1 0 KKAFHM O=C(NCCCc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 ZINC000013804749 561731318 /nfs/dbraw/zinc/73/13/18/561731318.db2.gz YPMRTBGTPRNYHB-UHFFFAOYSA-N -1 3 514.589 5.510 1 0 KKAFHM O=C(NCCCc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 ZINC000013804749 561731319 /nfs/dbraw/zinc/73/13/19/561731319.db2.gz YPMRTBGTPRNYHB-UHFFFAOYSA-N -1 3 514.589 5.510 1 0 KKAFHM CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825657 561732996 /nfs/dbraw/zinc/73/29/96/561732996.db2.gz MBSWNUDCJIHLDI-UHFFFAOYSA-N -1 3 511.655 5.817 1 0 KKAFHM CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825657 561732997 /nfs/dbraw/zinc/73/29/97/561732997.db2.gz MBSWNUDCJIHLDI-UHFFFAOYSA-N -1 3 511.655 5.817 1 0 KKAFHM CCCCc1nc2cc(Cl)cc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013828047 561733107 /nfs/dbraw/zinc/73/31/07/561733107.db2.gz JQFOWEPKMNLUHH-UHFFFAOYSA-N -1 3 500.990 5.714 1 0 KKAFHM CCCCc1nc2cc(Cl)cc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013828047 561733109 /nfs/dbraw/zinc/73/31/09/561733109.db2.gz JQFOWEPKMNLUHH-UHFFFAOYSA-N -1 3 500.990 5.714 1 0 KKAFHM COc1ccc([C@H]2Nc3cccc([O-])c3C(=O)N2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013831413 561733284 /nfs/dbraw/zinc/73/32/84/561733284.db2.gz JRVXFGNCHKHBPA-PMERELPUSA-N -1 3 523.589 5.705 3 0 KKAFHM CCCc1nc(-n2c(C)ccc2C)c(C=CC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832377 561733585 /nfs/dbraw/zinc/73/35/85/561733585.db2.gz XTMRZUBSSWEKMJ-ISLYRVAYSA-N -1 3 521.625 5.325 1 0 KKAFHM CCCc1nc(-n2c(C)ccc2C)c(C=CC(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832377 561733587 /nfs/dbraw/zinc/73/35/87/561733587.db2.gz XTMRZUBSSWEKMJ-ISLYRVAYSA-N -1 3 521.625 5.325 1 0 KKAFHM CCCCNC(=O)CCCCCCCCCCOC[C@@H]1Cc2ccccc2CN1C(=O)c1cccc([O-])c1 ZINC000013980197 561736033 /nfs/dbraw/zinc/73/60/33/561736033.db2.gz VVNGFIRWDGBANF-LJAQVGFWSA-N -1 3 522.730 6.403 1 0 KKAFHM CCCCc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014252190 561738478 /nfs/dbraw/zinc/73/84/78/561738478.db2.gz JBDLISFHUQGKKA-HSZRJFAPSA-N -1 3 622.726 7.263 1 0 KKAFHM CCCCc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014252190 561738481 /nfs/dbraw/zinc/73/84/81/561738481.db2.gz JBDLISFHUQGKKA-HSZRJFAPSA-N -1 3 622.726 7.263 1 0 KKAFHM CCOC(=O)O[C@H](C)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c21 ZINC000014255254 561738640 /nfs/dbraw/zinc/73/86/40/561738640.db2.gz ITTQCOUEWOQXKP-GOSISDBHSA-N -1 3 556.579 5.006 1 0 KKAFHM CCOC(=O)O[C@H](C)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c21 ZINC000014255254 561738641 /nfs/dbraw/zinc/73/86/41/561738641.db2.gz ITTQCOUEWOQXKP-GOSISDBHSA-N -1 3 556.579 5.006 1 0 KKAFHM CN(C)Cc1ccccc1-c1ccc(-c2n[n-]c3c(C(F)(F)F)nn(-c4ccc5onc(N)c5c4)c3c2=O)cc1 ZINC000014951318 561746041 /nfs/dbraw/zinc/74/60/41/561746041.db2.gz IHADKCDCROVAKF-UHFFFAOYSA-N -1 3 545.525 5.659 1 0 KKAFHM c1snnc1-c1ccc(CNCc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)cc1 ZINC000014957992 561748068 /nfs/dbraw/zinc/74/80/68/561748068.db2.gz IDOMNVMCTSOYEU-UHFFFAOYSA-N -1 3 502.607 5.404 1 0 KKAFHM CCC(=O)O[C@H](OC(=O)c1c2ccccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(C)C ZINC000026167572 561769436 /nfs/dbraw/zinc/76/94/36/561769436.db2.gz ZPRDWNKRZWTOOZ-MGBGTMOVSA-N -1 3 577.641 6.844 1 0 KKAFHM CCC(=O)O[C@H](OC(=O)c1c2ccccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(C)C ZINC000026167572 561769438 /nfs/dbraw/zinc/76/94/38/561769438.db2.gz ZPRDWNKRZWTOOZ-MGBGTMOVSA-N -1 3 577.641 6.844 1 0 KKAFHM CCCCc1nc2c(ncc(NC(=O)N(c3ccccc3)c3ccccc3)c2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026288107 561780069 /nfs/dbraw/zinc/78/00/69/561780069.db2.gz BWWJBFAYIYJQAS-UHFFFAOYSA-N -1 3 633.760 8.348 1 0 KKAFHM CCCCc1nc2c(ncc(NC(=O)N(c3ccccc3)c3ccccc3)c2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026288107 561780070 /nfs/dbraw/zinc/78/00/70/561780070.db2.gz BWWJBFAYIYJQAS-UHFFFAOYSA-N -1 3 633.760 8.348 1 0 KKAFHM CCCCc1nc2cccc(C(=O)OCCN3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026395770 561786931 /nfs/dbraw/zinc/78/69/31/561786931.db2.gz QXKDBSGXLFGZIM-UHFFFAOYSA-N -1 3 563.706 5.917 1 0 KKAFHM COc1ccc([C@](OCCN2CCC[C@@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000026400798 561788332 /nfs/dbraw/zinc/78/83/32/561788332.db2.gz JLPFRSGXRAQFON-NGOKVRLYSA-N -1 3 581.553 6.838 1 0 KKAFHM CCCCc1nc2cccc(C(=O)OCc3ccncc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026404431 561789446 /nfs/dbraw/zinc/78/94/46/561789446.db2.gz RCQXDDVIPANKSD-UHFFFAOYSA-N -1 3 543.631 6.026 1 0 KKAFHM CCCCc1nc2cccc(C(=O)OCc3ccncc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026404431 561789448 /nfs/dbraw/zinc/78/94/48/561789448.db2.gz RCQXDDVIPANKSD-UHFFFAOYSA-N -1 3 543.631 6.026 1 0 KKAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(N3CCCCC3)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026477075 561791182 /nfs/dbraw/zinc/79/11/82/561791182.db2.gz WYKWRPRUFCSOIA-ZQULZTDNSA-N -1 3 591.492 5.075 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)N(C)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026644085 561807193 /nfs/dbraw/zinc/80/71/93/561807193.db2.gz PNFCUMROWMPBEJ-DHUJRADRSA-N -1 3 648.771 6.688 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)N(C)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026644085 561807194 /nfs/dbraw/zinc/80/71/94/561807194.db2.gz PNFCUMROWMPBEJ-DHUJRADRSA-N -1 3 648.771 6.688 1 0 KKAFHM C[C@H]1Cc2c3c(ccc2CCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nnn[n-]2)c3S1 ZINC000026667958 561811600 /nfs/dbraw/zinc/81/16/00/561811600.db2.gz HBQPFEZZFCYPNX-DEOSSOPVSA-N -1 3 633.265 8.551 1 0 KKAFHM C[C@H]1Cc2c3c(ccc2CCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nn[n-]n2)c3S1 ZINC000026667958 561811602 /nfs/dbraw/zinc/81/16/02/561811602.db2.gz HBQPFEZZFCYPNX-DEOSSOPVSA-N -1 3 633.265 8.551 1 0 KKAFHM CO[P@@]([O-])(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)=NC(=O)Cc1c(C(C)C)cccc1C(C)C ZINC000026740799 561818027 /nfs/dbraw/zinc/81/80/27/561818027.db2.gz FEOBDPHFMATSSO-BHVANESWSA-N -1 3 513.703 9.002 1 0 KKAFHM CO[P@@](=O)(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)[N-]C(=O)Cc1c(C(C)C)cccc1C(C)C ZINC000026740799 561818029 /nfs/dbraw/zinc/81/80/29/561818029.db2.gz FEOBDPHFMATSSO-BHVANESWSA-N -1 3 513.703 9.002 1 0 KKAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(OC(F)F)c3ccccc32)ccc1[O-] ZINC000026829367 561822605 /nfs/dbraw/zinc/82/26/05/561822605.db2.gz WXVKLLMRCJZGIX-BVAGGSTKSA-N -1 3 542.604 5.125 1 0 KKAFHM C/C=C\C(C)(C)C[C@H]1[C@H](C(=O)[O-])[C@@H](c2cc3c(c(OC)c2)OCO3)CN1CC(=O)N(CCCC)CCCC ZINC000026971123 561830453 /nfs/dbraw/zinc/83/04/53/561830453.db2.gz GHDYDXZRKIXRDK-RDXXDGPGSA-N -1 3 530.706 5.314 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000027311626 561850843 /nfs/dbraw/zinc/85/08/43/561850843.db2.gz PPJNKTSDNBTUGH-XCRWMPKNSA-N -1 3 548.602 5.704 1 0 KKAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc(OC)c(OC)c3)nc2)cc1OC ZINC000027331502 561855153 /nfs/dbraw/zinc/85/51/53/561855153.db2.gz PFSAOBZGNQDTPJ-LJAQVGFWSA-N -1 3 536.588 5.129 1 0 KKAFHM COC(=O)c1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000027520539 561863718 /nfs/dbraw/zinc/86/37/18/561863718.db2.gz UIWAWEHKXPOTBJ-NDEPHWFRSA-N -1 3 534.524 5.049 1 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)CC[C@H]([N-]S(=O)(=O)c2cccs2)CC3)c1-c1ccc(C(F)(F)F)cc1 ZINC000027524296 561865674 /nfs/dbraw/zinc/86/56/74/561865674.db2.gz MLJWCPIALKPLOS-XMMPIXPASA-N -1 3 584.685 7.221 1 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H](C[N-]S(=O)(=O)c2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000027524652 561865793 /nfs/dbraw/zinc/86/57/93/561865793.db2.gz IECYXABIVIGSDE-IBGZPJMESA-N -1 3 570.658 6.688 1 0 KKAFHM O=C(CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC[P@](=O)([O-])Oc1ccccc1)OCc1ccccc1 ZINC000027561453 561870755 /nfs/dbraw/zinc/87/07/55/561870755.db2.gz HHDKPTVOIUHECP-PMERELPUSA-N -1 3 572.598 5.326 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C(C)(C)C)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718441 561880388 /nfs/dbraw/zinc/88/03/88/561880388.db2.gz HZDGIIPDZBKNTD-LEWJYISDSA-N -1 3 532.634 6.124 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])[C@H](C)CC)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718595 561880403 /nfs/dbraw/zinc/88/04/03/561880403.db2.gz APPWRAFBZLNNIZ-YHYVQYDKSA-N -1 3 532.634 6.124 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)C(C)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027742008 561882621 /nfs/dbraw/zinc/88/26/21/561882621.db2.gz NOGYZXILAPTGBL-UHFFFAOYSA-N -1 3 546.675 5.635 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)C(C)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027742008 561882623 /nfs/dbraw/zinc/88/26/23/561882623.db2.gz NOGYZXILAPTGBL-UHFFFAOYSA-N -1 3 546.675 5.635 1 0 KKAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(F)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1[O-] ZINC000027984024 561892050 /nfs/dbraw/zinc/89/20/50/561892050.db2.gz KDIGTKNJQUPKGX-WLZNGNGHSA-N -1 3 527.932 5.019 1 0 KKAFHM CCCCCCN(CCCCCC)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028100454 561901519 /nfs/dbraw/zinc/90/15/19/561901519.db2.gz GDKPKRKTZMMMFK-AJQTZOPKSA-N -1 3 646.829 6.196 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](CC(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000028110610 561902977 /nfs/dbraw/zinc/90/29/77/561902977.db2.gz BXLNWOMSBXJQRE-KQZWIPHESA-N -1 3 524.658 5.084 1 0 KKAFHM O=C(c1ccccc1)c1ccc2c(c1[O-])N[C@H](c1ccccc1)[C@H](NCC(c1ccccc1)c1ccccc1)O2 ZINC000028113334 561903416 /nfs/dbraw/zinc/90/34/16/561903416.db2.gz IMGVLHPPOZVQNA-CYEXUTLASA-N -1 3 526.636 6.917 1 0 KKAFHM COc1cccc([C@@H](c2ccc3c(c2)CN(C(=O)c2ccc(C(=O)[O-])cc2)C3)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028570015 561938463 /nfs/dbraw/zinc/93/84/63/561938463.db2.gz DHZNWMDZVMDMAC-AWYDNWMNSA-N -1 3 589.736 6.234 1 0 KKAFHM COc1cc(C(=O)Oc2c(C)c3c(cc2O)[C@]2(C)CC[C@@]4(C)[C@@H]5C[C@@H](C)C(=O)C[C@]5(C)CC[C@]4(C)[C@@H]2C[C@H]3O)ccc1[O-] ZINC000028654544 561946517 /nfs/dbraw/zinc/94/65/17/561946517.db2.gz JDYANKPIJWCAEB-NZOKANRWSA-N -1 3 590.757 7.167 1 0 KKAFHM CCCCc1nc2ccc(-c3ccccn3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028759215 561957446 /nfs/dbraw/zinc/95/74/46/561957446.db2.gz VYVSVTRRYTZNOC-UHFFFAOYSA-N -1 3 513.605 5.697 1 0 KKAFHM CCCCc1nc2ccc(-c3ccccn3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028759215 561957447 /nfs/dbraw/zinc/95/74/47/561957447.db2.gz VYVSVTRRYTZNOC-UHFFFAOYSA-N -1 3 513.605 5.697 1 0 KKAFHM CCCCc1nc2cc(C3=NNC(=O)C[C@@H]3C)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028756110 561956072 /nfs/dbraw/zinc/95/60/72/561956072.db2.gz XWUUGJRHNKDUKO-IBGZPJMESA-N -1 3 518.625 5.134 1 0 KKAFHM CCCCc1nc2cc(C3=NNC(=O)C[C@@H]3C)ccc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028756110 561956073 /nfs/dbraw/zinc/95/60/73/561956073.db2.gz XWUUGJRHNKDUKO-IBGZPJMESA-N -1 3 518.625 5.134 1 0 KKAFHM CCCCc1nc2ccc(NCc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028756407 561956282 /nfs/dbraw/zinc/95/62/82/561956282.db2.gz AKALBVAZQOPMNW-UHFFFAOYSA-N -1 3 541.659 6.247 1 0 KKAFHM CCCCc1nc2ccc(NCc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028756407 561956284 /nfs/dbraw/zinc/95/62/84/561956284.db2.gz AKALBVAZQOPMNW-UHFFFAOYSA-N -1 3 541.659 6.247 1 0 KKAFHM CCCCc1nc2ccc(I)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028757781 561956916 /nfs/dbraw/zinc/95/69/16/561956916.db2.gz ZANNTQZQWQODIL-UHFFFAOYSA-N -1 3 562.415 5.239 1 0 KKAFHM CCCCc1nc2ccc(I)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028757781 561956917 /nfs/dbraw/zinc/95/69/17/561956917.db2.gz ZANNTQZQWQODIL-UHFFFAOYSA-N -1 3 562.415 5.239 1 0 KKAFHM COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000028881417 561976902 /nfs/dbraw/zinc/97/69/02/561976902.db2.gz SBJAEZCXJBPDAS-FQEVSTJZSA-N -1 3 535.150 5.764 1 0 KKAFHM COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1ccccc1C(=O)[O-])CC2 ZINC000029133721 562003677 /nfs/dbraw/zinc/00/36/77/562003677.db2.gz RBKFGFJPHLLKAV-UHFFFAOYSA-N -1 3 514.622 5.704 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)OCC(=O)N(CC)CC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029306385 562011674 /nfs/dbraw/zinc/01/16/74/562011674.db2.gz XULRQBGGGZSOOW-UHFFFAOYSA-N -1 3 589.100 5.077 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)OCC(=O)N(CC)CC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029306385 562011675 /nfs/dbraw/zinc/01/16/75/562011675.db2.gz XULRQBGGGZSOOW-UHFFFAOYSA-N -1 3 589.100 5.077 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@H](OC(=O)C(C)(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029314987 562012329 /nfs/dbraw/zinc/01/23/29/562012329.db2.gz AIVPIRWTOPDAEO-WJOKGBTCSA-N -1 3 632.165 6.780 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@H](OC(=O)C(C)(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029314987 562012331 /nfs/dbraw/zinc/01/23/31/562012331.db2.gz AIVPIRWTOPDAEO-WJOKGBTCSA-N -1 3 632.165 6.780 1 0 KKAFHM CCCCc1nc2ccn(CC(=O)N(c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029389846 562017044 /nfs/dbraw/zinc/01/70/44/562017044.db2.gz BHLCMOUGUBJVCV-UHFFFAOYSA-N -1 3 634.744 6.801 1 0 KKAFHM CCCCc1nc2ccn(CC(=O)N(c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029389846 562017047 /nfs/dbraw/zinc/01/70/47/562017047.db2.gz BHLCMOUGUBJVCV-UHFFFAOYSA-N -1 3 634.744 6.801 1 0 KKAFHM CCCCc1nc2ccc([C@H]3ON4CCC[C@H]4[C@@H]3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029404673 562020456 /nfs/dbraw/zinc/02/04/56/562020456.db2.gz FYIRUXBRHOVWLN-RUHGTMQNSA-N -1 3 619.726 5.265 1 0 KKAFHM CCCCc1nc2ccc([C@H]3ON4CCC[C@H]4[C@@H]3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029404673 562020457 /nfs/dbraw/zinc/02/04/57/562020457.db2.gz FYIRUXBRHOVWLN-RUHGTMQNSA-N -1 3 619.726 5.265 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C=CCO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029415963 562022827 /nfs/dbraw/zinc/02/28/27/562022827.db2.gz BKCPDAPEVIIOGF-MHZLTWQESA-N -1 3 504.594 5.262 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C=CCO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029415963 562022829 /nfs/dbraw/zinc/02/28/29/562022829.db2.gz BKCPDAPEVIIOGF-MHZLTWQESA-N -1 3 504.594 5.262 1 0 KKAFHM CCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ncnc2c1ncn2Cc1ccccc1 ZINC000029471362 562025668 /nfs/dbraw/zinc/02/56/68/562025668.db2.gz RTERDKPQIOSXPN-UHFFFAOYSA-N -1 3 501.598 5.138 1 0 KKAFHM CCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ncnc2c1ncn2Cc1ccccc1 ZINC000029471362 562025670 /nfs/dbraw/zinc/02/56/70/562025670.db2.gz RTERDKPQIOSXPN-UHFFFAOYSA-N -1 3 501.598 5.138 1 0 KKAFHM CCCC[C@@H]1Nc2ccc(C(C)(C)OC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222124 562051679 /nfs/dbraw/zinc/05/16/79/562051679.db2.gz RBGRJVKBRLZRHD-HHHXNRCGSA-N -1 3 510.642 5.999 1 0 KKAFHM CCCC[C@@H]1Nc2ccc(C(C)(C)OC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222124 562051680 /nfs/dbraw/zinc/05/16/80/562051680.db2.gz RBGRJVKBRLZRHD-HHHXNRCGSA-N -1 3 510.642 5.999 1 0 KKAFHM CC(C)=CCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1F)O2 ZINC000038212187 562070509 /nfs/dbraw/zinc/07/05/09/562070509.db2.gz HZMCNFCMGYLAPU-FMPTZFRZSA-N -1 3 525.642 6.583 1 0 KKAFHM C[C@H](c1cc([O-])c(Cl)cc1N)N1C(=O)c2cc(I)ccc2N(CCN2CCOCC2)C(=O)[C@@H]1c1ccc(Cl)cc1 ZINC000038377666 562071625 /nfs/dbraw/zinc/07/16/25/562071625.db2.gz CIPUXOASBLBAEP-CRYYWNKWSA-N -1 3 695.385 5.509 1 0 KKAFHM CCCC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc([O-])cc2)c(O)c1-c1ccc(O)cc1 ZINC000014721722 560224974 /nfs/dbraw/zinc/22/49/74/560224974.db2.gz CNDDIRNNJHDZCC-UHFFFAOYSA-N -1 3 516.502 5.473 1 0 biogenic,in-vitro KKAFHM O=C(Nc1ccc(-c2nnn[n-]2)cc1F)[C@H](C1CCCCC1)n1c2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1 ZINC000043206478 562647104 /nfs/dbraw/zinc/64/71/04/562647104.db2.gz BFWQNCCFSCRIGZ-VWLOTQADSA-N -1 3 565.987 6.714 1 0 KKAFHM O=C(Nc1ccc(-c2nn[n-]n2)cc1F)[C@H](C1CCCCC1)n1c2cc(F)c(F)cc2nc1-c1ccc(Cl)cc1 ZINC000043206478 562647105 /nfs/dbraw/zinc/64/71/05/562647105.db2.gz BFWQNCCFSCRIGZ-VWLOTQADSA-N -1 3 565.987 6.714 1 0 KKAFHM CC1=C[C@@H]2c3c([O-])cc(-c4cc5ccc(O)cc5o4)cc3O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@H](C1)[C@@H]23 ZINC000044358289 562655259 /nfs/dbraw/zinc/65/52/59/562655259.db2.gz GOBAQYCCUYZMJY-HGLYATPPSA-N -1 3 628.677 8.578 1 0 in-vitro KKAFHM O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045189319 562658411 /nfs/dbraw/zinc/65/84/11/562658411.db2.gz KOKDZGOZSFOYDQ-QFQXNSOFSA-N -1 3 523.460 6.412 1 0 KKAFHM CC(C)CC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045358542 562661990 /nfs/dbraw/zinc/66/19/90/562661990.db2.gz JPYSCTNQOYSJRQ-YHYVQYDKSA-N -1 3 516.526 7.525 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccc2ccccc21)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000048308888 562663176 /nfs/dbraw/zinc/66/31/76/562663176.db2.gz PQUWQWGLZMZBAM-PMERELPUSA-N -1 3 569.488 7.177 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049605586 562666053 /nfs/dbraw/zinc/66/60/53/562666053.db2.gz VUYJTWUPEQGKGS-VMPREFPWSA-N -1 3 559.493 6.901 1 0 KKAFHM CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)SCCNC(=O)OCc1ccccn1)N([O-])C=O ZINC000049626567 562667278 /nfs/dbraw/zinc/66/72/78/562667278.db2.gz VFVMMWOEQQCQGF-UODIDJSMSA-N -1 3 662.879 5.003 1 0 KKAFHM CCC(CC)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ncnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000049709646 562671371 /nfs/dbraw/zinc/67/13/71/562671371.db2.gz OLMQEKNQXYJJDE-SFHVURJKSA-N -1 3 523.002 5.396 1 0 KKAFHM O=C([O-])[C@]12C[C@@H](OCc3ccccc3)CN1[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]12 ZINC000049710636 562671808 /nfs/dbraw/zinc/67/18/08/562671808.db2.gz XLGYEYQAMCYTAF-PNVZQYEVSA-N -1 3 630.322 5.731 1 0 KKAFHM O=C(NCCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049756012 562674772 /nfs/dbraw/zinc/67/47/72/562674772.db2.gz QGKPGFXCCOMRIV-QHCPKHFHSA-N -1 3 552.285 6.636 1 0 KKAFHM O=C([O-])C[C@@H]1CCN([C@H](Cc2ccccc2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000049762554 562676625 /nfs/dbraw/zinc/67/66/25/562676625.db2.gz RSOBSLOWALVYPE-VEXUSMLFSA-N -1 3 536.516 7.331 1 0 KKAFHM O=S(=O)([N-]C[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12)c1cccs1 ZINC000049792586 562684453 /nfs/dbraw/zinc/68/44/53/562684453.db2.gz BFHPVMKGRSCXPW-RGUAHJAXSA-N -1 3 574.092 5.136 1 0 KKAFHM O=C(Cc1ccc(NC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1)NCCc1ccc(Cl)c(Cl)c1 ZINC000049917876 562694072 /nfs/dbraw/zinc/69/40/72/562694072.db2.gz FRIGKKDMSFLNSN-UHFFFAOYSA-N -1 3 588.318 7.827 1 0 KKAFHM O=C(NCC1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049918149 562694485 /nfs/dbraw/zinc/69/44/85/562694485.db2.gz KFPBOGOBYRIEPP-UHFFFAOYSA-N -1 3 579.446 7.237 1 0 KKAFHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000049938440 562695336 /nfs/dbraw/zinc/69/53/36/562695336.db2.gz IOOZPOJLJXNYOT-VWLOTQADSA-N -1 3 715.742 5.553 1 0 KKAFHM CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000058480314 562697990 /nfs/dbraw/zinc/69/79/90/562697990.db2.gz CQFWHUCSXRDQPO-HFOXQMJASA-N -1 3 566.890 5.630 1 0 KKAFHM CC[C@@H]1[C@@H](C)CN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c([O-])c(C(C)(C)C)c2)[C@H]1C ZINC000058506127 562698329 /nfs/dbraw/zinc/69/83/29/562698329.db2.gz UJYZSAKJRRAVME-WPFOTENUSA-N -1 3 517.758 7.707 1 0 KKAFHM COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]2C3)cc([O-])c1/C=C/c1ccc(N)cc1 ZINC000058583471 562700114 /nfs/dbraw/zinc/70/01/14/562700114.db2.gz CFSHDRRBSJJEIJ-RHPLSQAISA-N -1 3 557.687 5.794 1 0 KKAFHM CC(C)CC1=C([O-])N(COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)S(=O)(=O)N1Cc1ccccc1 ZINC000058584071 562700197 /nfs/dbraw/zinc/70/01/97/562700197.db2.gz LXVFGURMZLZZPJ-VWLOTQADSA-N -1 3 590.529 5.784 1 0 KKAFHM CC(C)CC1=C([O-])N(COC(=O)[C@H](C)c2ccc(Oc3ccccc3)cc2)S(=O)(=O)N1Cc1ccccc1 ZINC000058591230 562700445 /nfs/dbraw/zinc/70/04/45/562700445.db2.gz SZNGJZRKYQQJBL-AMGIVPHBSA-N -1 3 536.650 5.087 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nccn4c(-c5ccc6ccccc6c5)cnc34)cc2)cc1 ZINC000061930767 562703633 /nfs/dbraw/zinc/70/36/33/562703633.db2.gz MIHHWBVNJDEABA-UHFFFAOYSA-N -1 3 505.603 6.402 3 0 KKAFHM CC(C)(C)C(=O)OC[C@H](CNC(=O)Cc1ccc([O-])c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064454392 562705793 /nfs/dbraw/zinc/70/57/93/562705793.db2.gz SCAGZYOBIABQAU-FQEVSTJZSA-N -1 3 518.492 5.559 1 0 KKAFHM CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000064527409 562706918 /nfs/dbraw/zinc/70/69/18/562706918.db2.gz MIVOXLZNBQXALA-NSOVKSMOSA-N -1 3 568.699 5.397 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071334220 562719562 /nfs/dbraw/zinc/71/95/62/562719562.db2.gz ASMRDGFCKGAMOT-QGOAFFKASA-N -1 3 619.766 6.219 1 0 KKAFHM CCN1CC[C@@](NC(=O)c2ccc3c(c2)n(C)c(-c2ccccn2)c3C2CCCCC2)(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000071411074 562720175 /nfs/dbraw/zinc/72/01/75/562720175.db2.gz QIQTZKWHBRFSDT-PCHOQTRTSA-N -1 3 619.766 6.219 1 0 KKAFHM CN1CCc2ccc(Nc3nccc(-c4c(-c5cccc([N-]S(=O)(=O)c6ccccc6)c5)nc5ccccn54)n3)cc2C1 ZINC000072176292 562731592 /nfs/dbraw/zinc/73/15/92/562731592.db2.gz SAKZRMKAJKEMKV-UHFFFAOYSA-N -1 3 587.709 5.991 1 0 KKAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1N(C(C)=O)c1ccc(CC)cc1 ZINC000072179200 562732263 /nfs/dbraw/zinc/73/22/63/562732263.db2.gz ZRKBNUZOKJVGON-UHFFFAOYSA-N -1 3 535.608 5.202 1 0 KKAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1N(C(C)=O)c1ccc(CC)cc1 ZINC000072179200 562732264 /nfs/dbraw/zinc/73/22/64/562732264.db2.gz ZRKBNUZOKJVGON-UHFFFAOYSA-N -1 3 535.608 5.202 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072316992 562733131 /nfs/dbraw/zinc/73/31/31/562733131.db2.gz GZAWCWVPZBVPIK-UHFFFAOYSA-N -1 3 585.712 6.174 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072316992 562733132 /nfs/dbraw/zinc/73/31/32/562733132.db2.gz GZAWCWVPZBVPIK-UHFFFAOYSA-N -1 3 585.712 6.174 1 0 KKAFHM CCCCCNc1ccc2c(c1)[N-]C(=S)[C@H](c1ccc(Cl)cc1)N([C@@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073139785 562733505 /nfs/dbraw/zinc/73/35/05/562733505.db2.gz UOEMUDYIXWSFSB-IZZNHLLZSA-N -1 3 570.542 7.446 1 0 KKAFHM CN(C)c1ccc(-c2ccnc3ccc(-c4cnc(Cl)c([N-]S(=O)(=O)c5ccc(F)cc5)c4)cc32)cc1 ZINC000073159010 562734007 /nfs/dbraw/zinc/73/40/07/562734007.db2.gz DCKNELOICLMUKN-UHFFFAOYSA-N -1 3 533.028 6.623 1 0 KKAFHM O=C(NCCN1CCCCC1)c1ccccc1Oc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000073168307 562734698 /nfs/dbraw/zinc/73/46/98/562734698.db2.gz VNZBSMSVQFYVMF-UHFFFAOYSA-N -1 3 583.925 5.851 1 0 KKAFHM CC(C)c1nnc2ccc(Sc3ccccc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc([O-])c(Cl)c3)cn21 ZINC000073223234 562736455 /nfs/dbraw/zinc/73/64/55/562736455.db2.gz HKIMFKAABCFAGF-UHFFFAOYSA-N -1 3 590.153 7.168 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(Br)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000082136626 562738959 /nfs/dbraw/zinc/73/89/59/562738959.db2.gz QFNQCJBNRKDDAS-IZLXSDGUSA-N -1 3 669.428 8.219 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(Cl)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000082136656 562738969 /nfs/dbraw/zinc/73/89/69/562738969.db2.gz IBFVWOQHRRDNNC-IZLXSDGUSA-N -1 3 624.977 8.110 1 0 KKAFHM COc1cc(=O)c2c([O-])cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c53)CCCC4)oc-2c1 ZINC000084596599 562743701 /nfs/dbraw/zinc/74/37/01/562743701.db2.gz BTFMFFRGSDLIRJ-UHFFFAOYSA-N -1 3 640.608 8.204 1 0 KKAFHM COc1cc([O-])c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c53)CCCC4)oc2c1 ZINC000084596599 562743702 /nfs/dbraw/zinc/74/37/02/562743702.db2.gz BTFMFFRGSDLIRJ-UHFFFAOYSA-N -1 3 640.608 8.204 1 0 KKAFHM Cc1cn2c(-c3cnn(Cc4nc5ccccc5[nH]4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632649 562745563 /nfs/dbraw/zinc/74/55/63/562745563.db2.gz VSDJQVBNLIHGKB-GOSISDBHSA-N -1 3 538.685 5.258 1 0 KKAFHM CC(C)(O)CCC[C@H](C/C=C/[C@@]([O-])(C(C)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000084634727 562745952 /nfs/dbraw/zinc/74/59/52/562745952.db2.gz HCSTZBZVFMMHPS-ZMISIIDASA-N -1 3 592.730 7.414 1 0 KKAFHM COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@@H](Cc1ccc([O-])c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC5 ZINC000084668878 562747731 /nfs/dbraw/zinc/74/77/31/562747731.db2.gz GOYCVNCWKXBQBF-SXOMAYOGSA-N -1 3 562.666 6.948 1 0 KKAFHM COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@H](CC(=O)[O-])Cc3c[nH]c4ccccc34)cc2OCCc2c[nH]c3ccccc23)cc1 ZINC000084671113 562748469 /nfs/dbraw/zinc/74/84/69/562748469.db2.gz NKAIOQWLURKEDJ-IUDBTDONSA-N -1 3 673.770 5.604 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)ccc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687357 562748904 /nfs/dbraw/zinc/74/89/04/562748904.db2.gz VTEPOEPLGVFUFO-LEWJYISDSA-N -1 3 503.382 5.983 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(OC)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688303 562749106 /nfs/dbraw/zinc/74/91/06/562749106.db2.gz SOCGYKSWZHVIGP-YADHBBJMSA-N -1 3 515.418 5.853 1 0 KKAFHM COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688301 562749149 /nfs/dbraw/zinc/74/91/49/562749149.db2.gz CEJQMALQGMVVLS-SFTDATJTSA-N -1 3 536.934 6.349 1 0 KKAFHM COC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)c2cc(Cl)ccc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690028 562749495 /nfs/dbraw/zinc/74/94/95/562749495.db2.gz IIVLCPFWULYALQ-LEWJYISDSA-N -1 3 503.382 5.983 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690625 562749684 /nfs/dbraw/zinc/74/96/84/562749684.db2.gz NEXMNIQEJWBCSO-SFTDATJTSA-N -1 3 519.837 6.498 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084708789 562750241 /nfs/dbraw/zinc/75/02/41/562750241.db2.gz XTUYUCGJCJNQCG-UHFFFAOYSA-N -1 3 601.711 6.140 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084708789 562750242 /nfs/dbraw/zinc/75/02/42/562750242.db2.gz XTUYUCGJCJNQCG-UHFFFAOYSA-N -1 3 601.711 6.140 1 0 KKAFHM COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4CCCOc4ccccc4C(=O)[O-])CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000095539958 562755434 /nfs/dbraw/zinc/75/54/34/562755434.db2.gz ZINVMVLQGZEHNI-GWHBCOKCSA-N -1 3 774.915 6.998 1 0 KKAFHM O=C([O-])CCNc1ccccc1C(=O)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000095556879 562761990 /nfs/dbraw/zinc/76/19/90/562761990.db2.gz VDNHGXHYXNDCOW-UHFFFAOYSA-N -1 3 520.457 5.028 1 0 KKAFHM CC(C)(C)c1cc(C(C)(C)C)c2c(c1F)CO[P@@](=O)(OC[C@H]1O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]1F)O2 ZINC000095561122 562763263 /nfs/dbraw/zinc/76/32/63/562763263.db2.gz TWUKUGLVYRKWCG-OBSGSQMTSA-N -1 3 654.385 5.235 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566346 562764902 /nfs/dbraw/zinc/76/49/02/562764902.db2.gz QMCFBRPLMVFDBX-VBEKBXFHSA-N -1 3 740.285 7.087 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095566461 562765028 /nfs/dbraw/zinc/76/50/28/562765028.db2.gz FLOZMHQLKWUFJL-NIAOJTHTSA-N -1 3 655.044 5.729 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566573 562765098 /nfs/dbraw/zinc/76/50/98/562765098.db2.gz GQPLODGYDYCVNT-URCPOSBSSA-N -1 3 650.625 5.084 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095567458 562765800 /nfs/dbraw/zinc/76/58/00/562765800.db2.gz UGALTWQJAJNGEN-LSJJIYBBSA-N -1 3 720.292 5.256 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095568347 562766494 /nfs/dbraw/zinc/76/64/94/562766494.db2.gz ORTMWWQHMCADOR-HHPFYWKMSA-N -1 3 741.178 7.375 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095569108 562767197 /nfs/dbraw/zinc/76/71/97/562767197.db2.gz WVAVZXUUZRXWFN-XDWGWCSASA-N -1 3 613.780 5.507 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095569228 562767275 /nfs/dbraw/zinc/76/72/75/562767275.db2.gz IVNKSYFTCQFKFE-YHJOQWEYSA-N -1 3 646.810 5.040 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569336 562767368 /nfs/dbraw/zinc/76/73/68/562767368.db2.gz QMCFBRPLMVFDBX-WGKZYHDKSA-N -1 3 740.285 7.087 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095571579 562769149 /nfs/dbraw/zinc/76/91/49/562769149.db2.gz CBQVGICLIDWTFD-GVNDJSPXSA-N -1 3 620.599 5.075 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccc(F)c(F)c2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574660 562770049 /nfs/dbraw/zinc/77/00/49/562770049.db2.gz QOMZYLYCCSVVAE-QGZVFWFLSA-N -1 3 628.639 5.768 1 0 KKAFHM CCCCN(CCCC)c1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095580182 562771777 /nfs/dbraw/zinc/77/17/77/562771777.db2.gz AFQRVTFMZATDAB-KRWDZBQOSA-N -1 3 546.631 5.438 1 0 KKAFHM CCc1nc2c(c(=O)n(Cc3ccccc3C)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095581889 562772319 /nfs/dbraw/zinc/77/23/19/562772319.db2.gz HMHFJSKWETWSSD-NDEPHWFRSA-N -1 3 541.659 5.808 1 0 KKAFHM CCc1nc2c(c(=O)n(Cc3ccccc3C)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095581889 562772320 /nfs/dbraw/zinc/77/23/20/562772320.db2.gz HMHFJSKWETWSSD-NDEPHWFRSA-N -1 3 541.659 5.808 1 0 KKAFHM O=c1oc2ccc(Cl)cc2cc1-c1csc(N2N=C(c3ccc(Br)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000095586241 562773883 /nfs/dbraw/zinc/77/38/83/562773883.db2.gz RLKWFHFUOHKZDM-OAQYLSRUSA-N -1 3 570.774 6.198 1 0 KKAFHM O=c1oc2ccc(Br)cc2cc1-c1csc(N2N=C(c3ccc(F)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000095592482 562775968 /nfs/dbraw/zinc/77/59/68/562775968.db2.gz XBHCUHFJJCRHKW-OAQYLSRUSA-N -1 3 554.319 5.683 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095598949 562777672 /nfs/dbraw/zinc/77/76/72/562777672.db2.gz HEADYOFXZPTIAZ-GZZJDKGESA-N -1 3 752.828 6.605 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095600254 562778743 /nfs/dbraw/zinc/77/87/43/562778743.db2.gz CBAAPWVHONFTKW-KOVGSKFNSA-N -1 3 724.843 6.039 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600259 562778747 /nfs/dbraw/zinc/77/87/47/562778747.db2.gz LFZLAWVTNRSJHJ-IHLWBQKJSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600565 562779050 /nfs/dbraw/zinc/77/90/50/562779050.db2.gz UQRVVYXDOOLUAO-BEAGFIRGSA-N -1 3 723.830 6.573 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600833 562779271 /nfs/dbraw/zinc/77/92/71/562779271.db2.gz RPNLMNYQLLWISV-OEDABOJWSA-N -1 3 740.316 5.396 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602067 562779915 /nfs/dbraw/zinc/77/99/15/562779915.db2.gz UQRVVYXDOOLUAO-NAJARDBOSA-N -1 3 723.830 6.573 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)CCC(F)(F)F)OCCCC[C@H](C)O3)cc1 ZINC000095602319 562779992 /nfs/dbraw/zinc/77/99/92/562779992.db2.gz CMRLNGHJTMMURI-DNHJLFCISA-N -1 3 685.806 5.392 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095602295 562780012 /nfs/dbraw/zinc/78/00/12/562780012.db2.gz XVJMWCXMALPRRA-XLCATFGMSA-N -1 3 661.796 5.700 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603095 562780369 /nfs/dbraw/zinc/78/03/69/562780369.db2.gz UIKXZKCHSBRXDR-GHVZQYPWSA-N -1 3 705.840 6.434 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603749 562780641 /nfs/dbraw/zinc/78/06/41/562780641.db2.gz QMCFBRPLMVFDBX-FXRKCPOXSA-N -1 3 740.285 7.087 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095604021 562780849 /nfs/dbraw/zinc/78/08/49/562780849.db2.gz CBAAPWVHONFTKW-JTBGFZTISA-N -1 3 724.843 6.039 1 0 KKAFHM CCN(CC)C(=O)Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1 ZINC000095604153 562780880 /nfs/dbraw/zinc/78/08/80/562780880.db2.gz XCJXYBSZUXMRJC-UHFFFAOYSA-N -1 3 677.058 5.409 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)O3)cc1 ZINC000095604370 562780998 /nfs/dbraw/zinc/78/09/98/562780998.db2.gz ISGWUMSRLISZDA-NUNJUMJCSA-N -1 3 720.760 7.030 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095605164 562781450 /nfs/dbraw/zinc/78/14/50/562781450.db2.gz RXIJSVCALBVVES-FXRKCPOXSA-N -1 3 706.733 6.722 1 0 KKAFHM O=C(Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1)N1CCCCC1 ZINC000095605515 562781629 /nfs/dbraw/zinc/78/16/29/562781629.db2.gz IKRIZNZFZYVEKN-UHFFFAOYSA-N -1 3 689.069 5.553 1 0 KKAFHM COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095774315 562789025 /nfs/dbraw/zinc/78/90/25/562789025.db2.gz URUYPBZFUNKRKA-GMKFGHRTSA-N -1 3 673.898 5.485 1 0 KKAFHM COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095819243 562789224 /nfs/dbraw/zinc/78/92/24/562789224.db2.gz URUYPBZFUNKRKA-GSDPCRBASA-N -1 3 673.898 5.485 1 0 KKAFHM Cc1cc(-c2c(Cl)ccc([O-])c2Cl)cc2nnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nc12 ZINC000096167822 562790690 /nfs/dbraw/zinc/79/06/90/562790690.db2.gz GJBBZRRXBSSIPB-UHFFFAOYSA-N -1 3 572.518 6.016 1 0 KKAFHM Cc1nc(C)c(S(=O)(=O)[N-]C2CCN(Cc3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CC2)s1 ZINC000096174086 562791635 /nfs/dbraw/zinc/79/16/35/562791635.db2.gz TTZHLPKPXHCBLJ-UHFFFAOYSA-N -1 3 598.758 5.070 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270900 562793489 /nfs/dbraw/zinc/79/34/89/562793489.db2.gz QMEVUPZOUYRQGV-QGZVFWFLSA-N -1 3 581.632 5.907 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270919 562793567 /nfs/dbraw/zinc/79/35/67/562793567.db2.gz BPXLDPNUIDKFEV-CGZBRXJRSA-N -1 3 545.599 5.236 1 0 KKAFHM O=C(Nc1ccc(CNC(=O)c2c[n-]c3cc(C(F)(F)F)ccc3c2=O)cc1)c1cn(Cc2ccccc2)c2ccccc12 ZINC000096913739 562800370 /nfs/dbraw/zinc/80/03/70/562800370.db2.gz MJXMDLXLEWRWPZ-UHFFFAOYSA-N -1 3 594.593 6.732 1 0 KKAFHM COc1ccc(C(/C=C/CN2CCC[C@H](C(=O)[O-])C2)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000096929372 562803053 /nfs/dbraw/zinc/80/30/53/562803053.db2.gz RNLUGOUUDNQOGZ-AVDOZPHPSA-N -1 3 501.623 5.400 1 0 KKAFHM CN(C)c1ccc(Oc2cc(O)cc([O-])c2-c2cc(C(=O)NC3CCN(CCCC(F)(F)F)CC3)no2)cc1 ZINC000096939424 562804813 /nfs/dbraw/zinc/80/48/13/562804813.db2.gz BYTFADJQKXHJJW-UHFFFAOYSA-N -1 3 548.562 5.148 1 0 KKAFHM Cc1ccc2nc(SCC(=O)[N-]N3C(=O)c4c(c(Br)c(Br)c(Br)c4Br)C3=O)n(-c3ccccc3)c(=O)c2c1 ZINC000098084857 562805729 /nfs/dbraw/zinc/80/57/29/562805729.db2.gz DCLICATVGVSSRQ-UHFFFAOYSA-N -1 3 786.094 6.164 1 0 KKAFHM CC(=O)C(Sc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[n-]1)CCCC3=Cc1ccc(Cl)cc1)=C(C)O ZINC000101680103 562811723 /nfs/dbraw/zinc/81/17/23/562811723.db2.gz PTMKIMFZKJHDRV-RGEXLXHISA-N -1 3 564.494 6.808 1 0 KKAFHM O=C(COc1ccc(Cl)cc1Cl)[N-]C(=S)Nc1nnc(COc2ccc(Cl)cc2Cl)s1 ZINC000103178352 562815159 /nfs/dbraw/zinc/81/51/59/562815159.db2.gz OUVCTFQOSGKNOZ-UHFFFAOYSA-N -1 3 538.265 5.623 1 0 KKAFHM CCCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214422 562816927 /nfs/dbraw/zinc/81/69/27/562816927.db2.gz JEOKDJWUVYZSNG-UHFFFAOYSA-N -1 3 573.126 6.437 1 0 KKAFHM CCCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214422 562816928 /nfs/dbraw/zinc/81/69/28/562816928.db2.gz JEOKDJWUVYZSNG-UHFFFAOYSA-N -1 3 573.126 6.437 1 0 KKAFHM CN(SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1)C(=O)OCc1ccccc1 ZINC000103219518 562817370 /nfs/dbraw/zinc/81/73/70/562817370.db2.gz AVYRYUVPMIEVHS-UHFFFAOYSA-N -1 3 505.930 5.806 1 0 KKAFHM CN(SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(Cl)cc1)C(=O)OCc1ccccc1 ZINC000103219518 562817371 /nfs/dbraw/zinc/81/73/71/562817371.db2.gz AVYRYUVPMIEVHS-UHFFFAOYSA-N -1 3 505.930 5.806 1 0 KKAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cccc3ccccc32)cc1Cl ZINC000103224450 562817592 /nfs/dbraw/zinc/81/75/92/562817592.db2.gz SRGKCIITCQMQIL-UHFFFAOYSA-N -1 3 575.137 5.066 1 0 KKAFHM Cn1c(C(=O)[O-])cc2cc(NC(=O)[C@]3(NC(=O)c4ccc5c(c4)nc(-c4ccoc4)n5C4CCCCC4)CCCNC3)ccc21 ZINC000103268719 562822676 /nfs/dbraw/zinc/82/26/76/562822676.db2.gz TZTAVYPNRLLZNN-UMSFTDKQSA-N -1 3 608.699 5.482 1 0 KKAFHM CN(C)CCNc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)cn1 ZINC000114034125 562826972 /nfs/dbraw/zinc/82/69/72/562826972.db2.gz LHVJVPSGSVDRBP-UHFFFAOYSA-N -1 3 520.008 6.105 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(CN5CCN(C)CC5)cc4)c3c2)cc(Cl)c1[O-] ZINC000114034918 562826991 /nfs/dbraw/zinc/82/69/91/562826991.db2.gz GNNKRLDSHAWPBS-UHFFFAOYSA-N -1 3 531.056 5.963 1 0 KKAFHM CN(C)CCOc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cn1 ZINC000114036809 562827078 /nfs/dbraw/zinc/82/70/78/562827078.db2.gz KTWGYMJCZMKYCM-UHFFFAOYSA-N -1 3 537.447 6.586 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cncc(CCN2CCCC2)c1)C1CC1 ZINC000114037256 562827186 /nfs/dbraw/zinc/82/71/86/562827186.db2.gz IHWRLQFYYFBQCM-UHFFFAOYSA-N -1 3 547.486 7.284 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(OCCN(C)C)nc1 ZINC000114037072 562827190 /nfs/dbraw/zinc/82/71/90/562827190.db2.gz SOYXDLYIHNATKY-UHFFFAOYSA-N -1 3 511.409 6.196 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(CN2CCCC2)cc1)C1CC1 ZINC000114038546 562827316 /nfs/dbraw/zinc/82/73/16/562827316.db2.gz JSXXVOCOSFUPBA-UHFFFAOYSA-N -1 3 516.016 7.332 1 0 KKAFHM O=S(=O)([N-]CCCN1CCC(c2noc3cc(F)ccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114601373 562828407 /nfs/dbraw/zinc/82/84/07/562828407.db2.gz XTENPQMXIHRLGV-UHFFFAOYSA-N -1 3 508.040 5.383 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@H](Cc2ccc(F)cc2)C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)cc1F ZINC000138662149 562832094 /nfs/dbraw/zinc/83/20/94/562832094.db2.gz WZZOBIRRCGOCRO-QHCPKHFHSA-N -1 3 627.701 6.818 1 0 KKAFHM Cc1ccc(C[C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000138693741 562832099 /nfs/dbraw/zinc/83/20/99/562832099.db2.gz SUAWQODOSOPHRA-XMMPIXPASA-N -1 3 606.686 5.798 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](Cc2ccc(F)cc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138692819 562832107 /nfs/dbraw/zinc/83/21/07/562832107.db2.gz FIWQIGJCMOFUBK-QHCPKHFHSA-N -1 3 610.649 5.629 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@@H](Cc2ccc(F)cc2)C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)cc1F ZINC000138662015 562832119 /nfs/dbraw/zinc/83/21/19/562832119.db2.gz WZZOBIRRCGOCRO-HSZRJFAPSA-N -1 3 627.701 6.818 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](c2ccc(F)cc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138781197 562832204 /nfs/dbraw/zinc/83/22/04/562832204.db2.gz DGJXNOYOQIWTFF-VWLOTQADSA-N -1 3 596.622 5.435 1 0 KKAFHM CN(C)c1nc(N[C@H]2CC[C@H]([N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000140023367 562832849 /nfs/dbraw/zinc/83/28/49/562832849.db2.gz LDCMGLYXOOMRFQ-IYBDPMFKSA-N -1 3 588.450 5.059 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])nc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000144520406 562836299 /nfs/dbraw/zinc/83/62/99/562836299.db2.gz ORQUPKDPLURTJX-UHFFFAOYSA-N -1 3 549.599 5.375 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccccc4C(=O)[O-])C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000144561265 562836480 /nfs/dbraw/zinc/83/64/80/562836480.db2.gz KLKWUCKBDUSSFQ-UHFFFAOYSA-N -1 3 548.611 5.980 1 0 KKAFHM COc1cc(OC)cc(-c2cc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000146602049 562838740 /nfs/dbraw/zinc/83/87/40/562838740.db2.gz DDXKZMODDZMWCD-OAHLLOKOSA-N -1 3 554.562 5.320 1 0 KKAFHM Cc1cc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccc1F ZINC000146675879 562838798 /nfs/dbraw/zinc/83/87/98/562838798.db2.gz OUWDXFYSGLSYMW-CQSZACIVSA-N -1 3 527.515 5.145 1 0 KKAFHM CN1CC=C(c2ccc(C(F)(F)F)cc2-c2cccc3c2CCN(S(=O)(=O)N=c2[n-]cc(F)s2)C3)CC1 ZINC000147420997 562839333 /nfs/dbraw/zinc/83/93/33/562839333.db2.gz GPFJATGTAHFICK-UHFFFAOYSA-N -1 3 552.619 5.402 1 0 KKAFHM COc1ccc(CC2CCOCC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000149641384 562842727 /nfs/dbraw/zinc/84/27/27/562842727.db2.gz ASNNDBRVNPWKRX-UHFFFAOYSA-N -1 3 561.708 5.214 1 0 KKAFHM Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc5ccccc5c4[O-])S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583424 562845658 /nfs/dbraw/zinc/84/56/58/562845658.db2.gz IYPDWGMLKGVZCL-QZOWHVBHSA-N -1 3 702.792 7.886 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc(-c2nsc(NC(=O)N(CCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN3CCOCC3)n2)cc1 ZINC000150599813 562847052 /nfs/dbraw/zinc/84/70/52/562847052.db2.gz LJNBVCGYZCGUJY-UHFFFAOYSA-N -1 3 656.781 5.243 1 0 KKAFHM COc1ccc2c(c1)c(CC(=O)Oc1cc([O-])c3c(c1)O[C@H](c1ccc(OC)c(O)c1)CC3=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000150610875 562848386 /nfs/dbraw/zinc/84/83/86/562848386.db2.gz SJTMQJDJZXEKQK-HKBQPEDESA-N -1 3 642.060 6.575 1 0 KKAFHM COc1cc(/C=C/c2cc3[nH]cc(C/C=C(\C)CCC=C(C)C)c3c([O-])c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311105 562855051 /nfs/dbraw/zinc/85/50/51/562855051.db2.gz SCNANIPDIGJCHV-ZICTZDDSSA-N -1 3 569.786 8.778 1 0 KKAFHM Cc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc1 ZINC000169334388 562859495 /nfs/dbraw/zinc/85/94/95/562859495.db2.gz WTDCITYAOVFRGK-HKBQPEDESA-N -1 3 583.783 5.770 1 0 KKAFHM O=C(CNc1ccc(Cl)cc1)[N-]n1c(COc2ccc(Cl)cc2Cl)nc2ccccc2c1=O ZINC000169334421 562859503 /nfs/dbraw/zinc/85/95/03/562859503.db2.gz LOKGQOIMDRQCPS-UHFFFAOYSA-N -1 3 503.773 5.118 1 0 KKAFHM CC(C)c1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)cc(Br)c1[O-] ZINC000169345467 562861653 /nfs/dbraw/zinc/86/16/53/562861653.db2.gz VSEVGFDUXUONKS-HNNXBMFYSA-N -1 3 646.057 5.234 1 0 KKAFHM C[S@](=O)CCOc1ccccc1[C@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695189 562865761 /nfs/dbraw/zinc/86/57/61/562865761.db2.gz DIMBCIACPAMNME-WKLNNVTBSA-N -1 3 523.676 5.061 1 0 KKAFHM COCCOc1cc(F)ccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695946 562865858 /nfs/dbraw/zinc/86/58/58/562865858.db2.gz MFHBGVIYHUPDMO-CLJLJLNGSA-N -1 3 509.599 5.468 1 0 KKAFHM COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695991 562865906 /nfs/dbraw/zinc/86/59/06/562865906.db2.gz QEWQEZIOKXTKMW-SXOMAYOGSA-N -1 3 505.636 5.637 1 0 KKAFHM CN(C)C(=O)c1ccccc1[C@H]1C(C(=O)CC(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696285 562865938 /nfs/dbraw/zinc/86/59/38/562865938.db2.gz UDMBUOHYBXKLPN-DQEYMECFSA-N -1 3 502.636 5.395 1 0 KKAFHM CCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696389 562865994 /nfs/dbraw/zinc/86/59/94/562865994.db2.gz LDGPBAOTRNHWPT-LOSJGSFVSA-N -1 3 502.636 5.314 1 0 KKAFHM CN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C2CCCC2)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696471 562866094 /nfs/dbraw/zinc/86/60/94/562866094.db2.gz YOZXMYMVGJROFZ-JWQCQUIFSA-N -1 3 500.620 5.149 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000169696551 562866116 /nfs/dbraw/zinc/86/61/16/562866116.db2.gz UMPWSBHQMHQMDQ-IZLXSDGUSA-N -1 3 514.622 5.211 1 0 KKAFHM COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696678 562866242 /nfs/dbraw/zinc/86/62/42/562866242.db2.gz KSINMFIWFMBYFM-RPWUZVMVSA-N -1 3 506.624 5.032 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000169696764 562866286 /nfs/dbraw/zinc/86/62/86/562866286.db2.gz JTAPFYIQJGFBCZ-FTJBHMTQSA-N -1 3 500.620 5.349 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])c(C)c4)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)cc1C ZINC000169702644 562868513 /nfs/dbraw/zinc/86/85/13/562868513.db2.gz PEOYNYRRIQYYCO-UHFFFAOYSA-N -1 3 568.592 6.476 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202732522 562873858 /nfs/dbraw/zinc/87/38/58/562873858.db2.gz OMTUXUVKGKMPLB-XZOQPEGZSA-N -1 3 583.559 5.799 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202735575 562873924 /nfs/dbraw/zinc/87/39/24/562873924.db2.gz VOYNOXORQINFJI-BJKOFHAPSA-N -1 3 549.114 5.146 1 0 KKAFHM CN(C)CCc1cccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)c1 ZINC000203799406 562874168 /nfs/dbraw/zinc/87/41/68/562874168.db2.gz JTGZRVUPVXHNLK-UHFFFAOYSA-N -1 3 520.460 7.355 1 0 KKAFHM CC1CCC(Cn2c(N3CCO[C@@H]4CN(C(=O)OCc5ccccc5)CC[C@H]43)nc3cc(-c4noc(=O)[n-]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209642716 562876932 /nfs/dbraw/zinc/87/69/32/562876932.db2.gz JIOKQGPNZGDGSQ-OSRRSHJASA-N -1 3 699.212 5.933 1 0 KKAFHM O=c1[n-]c(-c2cc3nc(N4CCO[C@@H]5CCC[C@H]54)n(Cc4ccc(C(F)(F)F)cc4)c3c(-c3cncc(Cl)c3)n2)no1 ZINC000219363141 562878128 /nfs/dbraw/zinc/87/81/28/562878128.db2.gz BRSDRQCFISXLFK-FGZHOGPDSA-N -1 3 597.985 5.315 1 0 KKAFHM CC[C@H]1CC[C@@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[n-]4)nc(-c4cncc(Cl)c4)c32)C1 ZINC000219413569 562878189 /nfs/dbraw/zinc/87/81/89/562878189.db2.gz ZOUXNVYMQAYQQO-MBKAAHDRSA-N -1 3 550.063 5.074 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@@H](C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834028 562886371 /nfs/dbraw/zinc/88/63/71/562886371.db2.gz QSGHXDMUWYXAEN-HUUCEWRRSA-N -1 3 513.557 5.234 1 0 KKAFHM NC(=O)c1cc(-c2ccc3nc(NC(=O)C4CC4)sc3c2)cc([N-]S(=O)(=O)c2ccc(F)cc2)c1Cl ZINC000299838862 562887998 /nfs/dbraw/zinc/88/79/98/562887998.db2.gz OLBXVIGQZSYVGL-UHFFFAOYSA-N -1 3 545.017 5.004 1 0 KKAFHM CCN(CC)CCOc1c(I)cc(C(=O)c2c(CCCC(=O)[O-])oc3ccccc32)cc1I ZINC000299851208 562890717 /nfs/dbraw/zinc/89/07/17/562890717.db2.gz BJXYXPYYKKUYMK-UHFFFAOYSA-N -1 3 675.301 6.001 1 0 KKAFHM CCCCCC[C@H](C/C=C\CCCCCCCCn1nnc(-c2ccc([O-])c(OC)c2)n1)OC(=O)Cc1ccccc1 ZINC000299860096 562892922 /nfs/dbraw/zinc/89/29/22/562892922.db2.gz ZOVOMAXKXHRPNX-JUBZNYLCSA-N -1 3 576.782 7.856 1 0 KKAFHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000473090709 562897619 /nfs/dbraw/zinc/89/76/19/562897619.db2.gz OYROAJMRGLCXAU-UHFFFAOYSA-N -1 3 539.673 6.651 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000473135747 562900852 /nfs/dbraw/zinc/90/08/52/562900852.db2.gz KGNKSXKSIILYTN-UHFFFAOYSA-N -1 3 585.726 5.666 1 0 KKAFHM O=C(NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[O-])c1cc2ccccc2cc1OCCCN1CCOCC1 ZINC000473135865 562900860 /nfs/dbraw/zinc/90/08/60/562900860.db2.gz URDOYOPOUKZUFR-UHFFFAOYSA-N -1 3 668.190 6.904 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(Cl)cc3)cc1)CC2 ZINC000473136931 562901142 /nfs/dbraw/zinc/90/11/42/562901142.db2.gz VHSIZNGXONZADW-UHFFFAOYSA-N -1 3 606.144 6.011 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152131 562901756 /nfs/dbraw/zinc/90/17/56/562901756.db2.gz PIMVOLFWKGGQEH-ZPMCFJSWSA-N -1 3 556.509 6.943 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccccc1Cl)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154438 562902183 /nfs/dbraw/zinc/90/21/83/562902183.db2.gz HNQQYAOPEUEXGZ-HNNXBMFYSA-N -1 3 575.049 6.582 1 0 KKAFHM CC(C)CCOc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154666 562902204 /nfs/dbraw/zinc/90/22/04/562902204.db2.gz JZQBEQCKYQXWBJ-OAHLLOKOSA-N -1 3 504.546 5.061 1 0 KKAFHM CCC(=O)c1ccc2[nH]c(=NCCCCOc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3)sc2c1 ZINC000473156202 562902467 /nfs/dbraw/zinc/90/24/67/562902467.db2.gz SWYBHECUEYWLHF-UHFFFAOYSA-N -1 3 514.603 6.061 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1SC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473158385 562902531 /nfs/dbraw/zinc/90/25/31/562902531.db2.gz WIAXFFNFTIOWHI-CQSZACIVSA-N -1 3 518.598 5.671 1 0 KKAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCCCN3CCOCC3)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653682404 562906406 /nfs/dbraw/zinc/90/64/06/562906406.db2.gz WHDSYWKMHQACKG-UHFFFAOYSA-N -1 3 603.119 5.855 1 0 KKAFHM CC[C@H](O)[C@H](CCCO)Oc1cc([O-])cc2oc(-c3cc(Cc4cccc(C[NH2+]C)c4)c([O-])c(CC(C)C)c3)c(O)c(=O)c12 ZINC000085569372 565145375 /nfs/dbraw/zinc/14/53/75/565145375.db2.gz SOLBCZCETKIGNE-NSOVKSMOSA-N -1 3 605.728 5.376 1 0 biogenic,in-vitro KKAFHM CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)O[C@H]1Oc2c4ccc(c2O[C@@H]31)CCc1ccc(cc1)Oc1cc(ccc1[O-])CCc1cccc(c1)O4 ZINC000095911591 565179647 /nfs/dbraw/zinc/17/96/47/565179647.db2.gz FPRZWOWZQKSYNV-IXMZKEGXSA-N -1 3 656.819 10.237 1 0 biogenic,in-vitro KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@@]1(C)CC(C)=C[C@@H]2c4c(C)c5c(cc4O[C@](O)([C@@H]3O)[C@@H]21)oc1cc(C)cc(O)c15 ZINC000085741836 571788111 /nfs/dbraw/zinc/78/81/11/571788111.db2.gz JCRLYBYVQJKZSH-BZJURIPASA-N -1 3 538.596 6.804 1 0 endogenous,in-man KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@]1(C)CC(C)=C[C@H]2c4c(C)c5c(cc4O[C@](O)(C3=O)[C@@H]21)oc1cc(C)cc(O)c15 ZINC000100772796 571816461 /nfs/dbraw/zinc/81/64/61/571816461.db2.gz QPGYUCLUVQROTF-SOQMGVRISA-N -1 3 536.580 6.954 1 0 endogenous,in-man KKAFHM Cc1nnn(-c2ccc(-c3ccc(C4(c5nnn[n-]5)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1 ZINC000095579052 541107692 /nfs/dbraw/zinc/10/76/92/541107692.db2.gz IBFKFXWDQNBRMW-LJQANCHMSA-N -1 3 506.570 5.145 1 0 KKAFHM Cc1nnn(-c2ccc(-c3ccc(C4(c5nn[n-]n5)CC4)cc3)cc2)c1NC(=O)O[C@H](C)c1ccccc1 ZINC000095579052 541107696 /nfs/dbraw/zinc/10/76/96/541107696.db2.gz IBFKFXWDQNBRMW-LJQANCHMSA-N -1 3 506.570 5.145 1 0 KKAFHM C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(C)=O)C=C3[C@H](OC(C)=O)C[C@@H](OC(C)=O)[C@@]32[C@H](OC(=O)c2ccc([O-])cc2)C[C@@H]1C ZINC000084154341 291891828 /nfs/dbraw/zinc/89/18/28/291891828.db2.gz LPTHPKFAMIUNRE-GHGJYRTBSA-N -1 3 594.701 5.618 1 0 biogenic,in-vitro KKAFHM CC(C)=CCC/C(C)=C/Cc1c([O-])cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@@]2(C)O3)cc1O ZINC000028820045 291910185 /nfs/dbraw/zinc/91/01/85/291910185.db2.gz HSDZWMOBUPRZEU-LXYWBZBZSA-N -1 3 548.720 6.671 1 0 biogenic,in-vitro KKAFHM CC(C)=CCc1c2c(ccc1O)[C@@]1(CC=C(C)C)Oc3cc4c(c([O-])c3C(=O)[C@]1(O)O2)C=CC(C)(C)O4 ZINC000014712269 291911835 /nfs/dbraw/zinc/91/18/35/291911835.db2.gz BSEWSLOUHTTXHH-IHLOFXLRSA-N -1 3 504.579 5.699 1 0 biogenic,in-vitro KKAFHM CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(I)c(CC)n1 ZINC000001534057 561676816 /nfs/dbraw/zinc/67/68/16/561676816.db2.gz RBBNFEGFUGKFNL-UHFFFAOYSA-N -1 3 510.383 5.270 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001538589 561676929 /nfs/dbraw/zinc/67/69/29/561676929.db2.gz SIKJGBOEWBICQY-LJAQVGFWSA-N -1 3 573.657 5.198 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001538589 561676930 /nfs/dbraw/zinc/67/69/30/561676930.db2.gz SIKJGBOEWBICQY-LJAQVGFWSA-N -1 3 573.657 5.198 1 0 KKAFHM CCCCc1nc(Cl)c2n1[C@H](c1ccc(-c3ccccc3-c3nnn[n-]3)cc1)CC[C@@H]2N1C(=O)CCC1=O ZINC000001540004 561677098 /nfs/dbraw/zinc/67/70/98/561677098.db2.gz JRCVIBWLJIQPOI-VXKWHMMOSA-N -1 3 530.032 5.300 1 0 KKAFHM CCCCc1nc(Cl)c2n1[C@H](c1ccc(-c3ccccc3-c3nn[n-]n3)cc1)CC[C@@H]2N1C(=O)CCC1=O ZINC000001540004 561677100 /nfs/dbraw/zinc/67/71/00/561677100.db2.gz JRCVIBWLJIQPOI-VXKWHMMOSA-N -1 3 530.032 5.300 1 0 KKAFHM O=C(NCCc1ccc(-c2nnn[n-]2)cc1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 ZINC000001539349 561677116 /nfs/dbraw/zinc/67/71/16/561677116.db2.gz WRUOBLKMAADSPN-UHFFFAOYSA-N -1 3 500.562 5.120 1 0 KKAFHM O=C(NCCc1ccc(-c2nn[n-]n2)cc1)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 ZINC000001539349 561677117 /nfs/dbraw/zinc/67/71/17/561677117.db2.gz WRUOBLKMAADSPN-UHFFFAOYSA-N -1 3 500.562 5.120 1 0 KKAFHM Cc1c(-c2cccc(OCCCCCC(=O)[O-])c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000006744490 561703207 /nfs/dbraw/zinc/70/32/07/561703207.db2.gz CTWXBIFRMUJGIB-NDEPHWFRSA-N -1 3 627.635 5.915 1 0 KKAFHM CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1cccc(F)c1 ZINC000013646650 561722723 /nfs/dbraw/zinc/72/27/23/561722723.db2.gz JGEJXPDQDZYEEV-OAQYLSRUSA-N -1 3 519.661 5.994 1 0 KKAFHM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013739970 561725830 /nfs/dbraw/zinc/72/58/30/561725830.db2.gz DWXCNNUZEBMCMR-UHFFFAOYSA-N -1 3 519.531 5.291 1 0 KKAFHM CCCCc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013739970 561725831 /nfs/dbraw/zinc/72/58/31/561725831.db2.gz DWXCNNUZEBMCMR-UHFFFAOYSA-N -1 3 519.531 5.291 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1C(C)(C)CCCC ZINC000013780882 561729155 /nfs/dbraw/zinc/72/91/55/561729155.db2.gz KZTRFAGJQXEMHL-GDKKVTFASA-N -1 3 502.696 5.529 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C)CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014278365 561738974 /nfs/dbraw/zinc/73/89/74/561738974.db2.gz LOVJMLDFUPAOHC-XIFFEERXSA-N -1 3 591.672 5.189 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C)CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014278365 561738976 /nfs/dbraw/zinc/73/89/76/561738976.db2.gz LOVJMLDFUPAOHC-XIFFEERXSA-N -1 3 591.672 5.189 1 0 KKAFHM CC[C@@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943513 561741844 /nfs/dbraw/zinc/74/18/44/561741844.db2.gz ZNEZCXJJIUHKKH-UEACAHGMSA-N -1 3 626.754 6.421 1 0 KKAFHM CCCCc1nn(C[C@H](OCCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026275521 561778209 /nfs/dbraw/zinc/77/82/09/561778209.db2.gz BDNZRTTUCHGDRE-NDEPHWFRSA-N -1 3 537.668 5.451 1 0 KKAFHM CCCCc1nn(C[C@H](OCCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026275521 561778211 /nfs/dbraw/zinc/77/82/11/561778211.db2.gz BDNZRTTUCHGDRE-NDEPHWFRSA-N -1 3 537.668 5.451 1 0 KKAFHM CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c(=O)c2c1 ZINC000026289116 561780231 /nfs/dbraw/zinc/78/02/31/561780231.db2.gz JQXJNTQZCWEHKS-UHFFFAOYSA-N -1 3 611.750 7.081 1 0 KKAFHM CCCCCN(C(=O)c1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c(=O)c2c1 ZINC000026289116 561780233 /nfs/dbraw/zinc/78/02/33/561780233.db2.gz JQXJNTQZCWEHKS-UHFFFAOYSA-N -1 3 611.750 7.081 1 0 KKAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(N3CCCCC3)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026477065 561791187 /nfs/dbraw/zinc/79/11/87/561791187.db2.gz WYKWRPRUFCSOIA-DRSALWLGSA-N -1 3 591.492 5.075 1 0 KKAFHM CCCCc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026573891 561798707 /nfs/dbraw/zinc/79/87/07/561798707.db2.gz MYHNQMLUZIOCBC-UHFFFAOYSA-N -1 3 555.511 5.027 1 0 KKAFHM CCCCc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026573891 561798709 /nfs/dbraw/zinc/79/87/09/561798709.db2.gz MYHNQMLUZIOCBC-UHFFFAOYSA-N -1 3 555.511 5.027 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OCC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579303 561804515 /nfs/dbraw/zinc/80/45/15/561804515.db2.gz LXVBKSYPVPSHBE-JGCGQSQUSA-N -1 3 615.738 6.225 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OCC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579303 561804517 /nfs/dbraw/zinc/80/45/17/561804517.db2.gz LXVBKSYPVPSHBE-JGCGQSQUSA-N -1 3 615.738 6.225 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)NC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579965 561805353 /nfs/dbraw/zinc/80/53/53/561805353.db2.gz MIWSDTUKNCRSRG-HKBQPEDESA-N -1 3 600.727 5.550 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)NC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579965 561805354 /nfs/dbraw/zinc/80/53/54/561805354.db2.gz MIWSDTUKNCRSRG-HKBQPEDESA-N -1 3 600.727 5.550 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)N(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026638888 561806391 /nfs/dbraw/zinc/80/63/91/561806391.db2.gz VNBLTQXCUPGATI-PMERELPUSA-N -1 3 586.700 5.114 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)N(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026638888 561806392 /nfs/dbraw/zinc/80/63/92/561806392.db2.gz VNBLTQXCUPGATI-PMERELPUSA-N -1 3 586.700 5.114 1 0 KKAFHM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC000026650072 561808208 /nfs/dbraw/zinc/80/82/08/561808208.db2.gz QUHKABGPKBYAOT-CAVYSCNFSA-N -1 3 539.072 5.274 1 0 KKAFHM CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000027707015 561878960 /nfs/dbraw/zinc/87/89/60/561878960.db2.gz BZQPYBGASIDRTL-UHFFFAOYSA-N -1 3 554.836 5.382 1 0 KKAFHM CCCCc1nc(Cl)c(C(N)=O)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000027707015 561878961 /nfs/dbraw/zinc/87/89/61/561878961.db2.gz BZQPYBGASIDRTL-UHFFFAOYSA-N -1 3 554.836 5.382 1 0 KKAFHM COCCOCO[C@H]([N-]C(=O)C(F)(F)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000028226447 561908201 /nfs/dbraw/zinc/90/82/01/561908201.db2.gz BXZURNHJQXYOGE-UEMWQVMZSA-N -1 3 741.829 5.184 1 0 KKAFHM CC(C)[C@@H]([N-]C(=O)C(F)(F)C(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)OC(C)(C)C ZINC000028226876 561908221 /nfs/dbraw/zinc/90/82/21/561908221.db2.gz AEKAXOFUKMZAOP-XKKJXBDVSA-N -1 3 737.841 5.931 1 0 KKAFHM CCN(CC)C[C@@H]1CN(C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccc(OC)cc2)CCO1 ZINC000028471985 561927133 /nfs/dbraw/zinc/92/71/33/561927133.db2.gz GQICWVPXBLZMOB-HHHXNRCGSA-N -1 3 561.723 5.632 1 0 KKAFHM O=C([O-])C1CCN(CCC=C(c2sccc2COC2CCCCC2)c2sccc2COC2CCCCC2)CC1 ZINC000028565458 561936213 /nfs/dbraw/zinc/93/62/13/561936213.db2.gz NKDFPFFHJAVYQX-UHFFFAOYSA-N -1 3 571.849 8.127 1 0 KKAFHM C[C@@H]1CN([C@H](c2ccc3c(c2)CN(C(=O)c2cccc(C(=O)[O-])c2)C3)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570206 561938682 /nfs/dbraw/zinc/93/86/82/561938682.db2.gz FZFSEHRCJNQRIE-ISVMRZDUSA-N -1 3 575.709 5.931 1 0 KKAFHM COC(=O)c1ccccc1CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nnn[n-]5)cc4)c3c2)[C@@H](C)CC1=O ZINC000028756872 561956575 /nfs/dbraw/zinc/95/65/75/561956575.db2.gz AGVPGQBNWWJQQU-QHCPKHFHSA-N -1 3 650.743 6.368 1 0 KKAFHM COC(=O)c1ccccc1CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[n-]n5)cc4)c3c2)[C@@H](C)CC1=O ZINC000028756872 561956577 /nfs/dbraw/zinc/95/65/77/561956577.db2.gz AGVPGQBNWWJQQU-QHCPKHFHSA-N -1 3 650.743 6.368 1 0 KKAFHM CCCCc1nc2ccc(N(C)C(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028757831 561956939 /nfs/dbraw/zinc/95/69/39/561956939.db2.gz GILBNKYWAGZEOX-UHFFFAOYSA-N -1 3 564.694 5.531 1 0 KKAFHM CCCCc1nc2ccc(N(C)C(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028757831 561956942 /nfs/dbraw/zinc/95/69/42/561956942.db2.gz GILBNKYWAGZEOX-UHFFFAOYSA-N -1 3 564.694 5.531 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)cc(Cl)c1[O-] ZINC000028881586 561976997 /nfs/dbraw/zinc/97/69/97/561976997.db2.gz AXSZCAAXZUUCMR-OAQYLSRUSA-N -1 3 535.150 5.907 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000028881813 561977141 /nfs/dbraw/zinc/97/71/41/561977141.db2.gz SRQJMFAOLIYUHY-FQEVSTJZSA-N -1 3 521.123 5.516 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)[O-])Cc2ccc(OCc3ccccc3)cc2)c1 ZINC000028949115 561980451 /nfs/dbraw/zinc/98/04/51/561980451.db2.gz ATLVKBLXBQNFLD-UHFFFAOYSA-N -1 3 562.666 6.937 1 0 KKAFHM CN(C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1)[C@@H]1CCN(C)C1 ZINC000028949698 561980713 /nfs/dbraw/zinc/98/07/13/561980713.db2.gz DSRLBJZTBBAOST-HSZRJFAPSA-N -1 3 513.642 5.274 1 0 KKAFHM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C3)cc2ccccc21 ZINC000028949613 561980817 /nfs/dbraw/zinc/98/08/17/561980817.db2.gz MZOJZGMOVWKVAE-QFIPXVFZSA-N -1 3 556.606 6.556 1 0 KKAFHM CCN(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(-c4cc([O-])ccc4Cl)cc(C)c3n2)cc1 ZINC000028957655 561983269 /nfs/dbraw/zinc/98/32/69/561983269.db2.gz BGKZQFXBRTXGLE-UHFFFAOYSA-N -1 3 567.115 5.209 1 0 KKAFHM CC(C)(C)c1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979683 561988338 /nfs/dbraw/zinc/98/83/38/561988338.db2.gz AIAUAKCFSNYUQF-UACNQURRSA-N -1 3 516.088 5.457 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@@]4(C)CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029414412 562022556 /nfs/dbraw/zinc/02/25/56/562022556.db2.gz XGHXMXBQAKAEJT-BFGHFXMOSA-N -1 3 575.717 6.256 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@@]4(C)CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029414412 562022557 /nfs/dbraw/zinc/02/25/57/562022557.db2.gz XGHXMXBQAKAEJT-BFGHFXMOSA-N -1 3 575.717 6.256 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)CC[C@@H]4ON3Cc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029481526 562027527 /nfs/dbraw/zinc/02/75/27/562027527.db2.gz MYSNBLPDCHNSRW-GZSDNXPSSA-N -1 3 651.771 6.471 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)CC[C@@H]4ON3Cc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029481526 562027529 /nfs/dbraw/zinc/02/75/29/562027529.db2.gz MYSNBLPDCHNSRW-GZSDNXPSSA-N -1 3 651.771 6.471 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4CCCCCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029485150 562028146 /nfs/dbraw/zinc/02/81/46/562028146.db2.gz VLMBACPJRXZTNH-HINUPRAASA-N -1 3 603.771 6.892 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4CCCCCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029485150 562028147 /nfs/dbraw/zinc/02/81/47/562028147.db2.gz VLMBACPJRXZTNH-HINUPRAASA-N -1 3 603.771 6.892 1 0 KKAFHM C[C@@H](c1cccs1)N(Cc1ccco1)C(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000033356469 562037240 /nfs/dbraw/zinc/03/72/40/562037240.db2.gz KLGDKPLAQONLHF-UZTOHYMASA-N -1 3 549.674 5.035 1 0 KKAFHM Cc1[n-]c(C(F)(F)F)c(Br)c(=O)c1-c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000040394809 562074359 /nfs/dbraw/zinc/07/43/59/562074359.db2.gz HYWKIFHIJDINQO-UHFFFAOYSA-N -1 3 508.212 7.235 1 0 KKAFHM CCCCCC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc([O-])cc2)c(O)c1-c1ccc(O)cc1 ZINC000085921670 560066272 /nfs/dbraw/zinc/06/62/72/560066272.db2.gz PVJPNBBVZSBLLI-UHFFFAOYSA-N -1 3 544.556 6.254 1 0 biogenic,in-vitro KKAFHM O=C(N=C([S-])N1CCc2c1cccc2OCCCCCOc1ccc(Cl)cc1)Oc1ccccc1 ZINC000043022472 562644959 /nfs/dbraw/zinc/64/49/59/562644959.db2.gz GXYDJQPYWQWZHE-UHFFFAOYSA-N -1 3 511.043 6.404 1 0 KKAFHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000043640990 562650425 /nfs/dbraw/zinc/65/04/25/562650425.db2.gz FOLZUGVGSWNCBI-HHHXNRCGSA-N -1 3 609.731 5.191 1 0 KKAFHM CC(C)(C)OC(=O)NC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000043640990 562650426 /nfs/dbraw/zinc/65/04/26/562650426.db2.gz FOLZUGVGSWNCBI-HHHXNRCGSA-N -1 3 609.731 5.191 1 0 KKAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCN4CCCCC4)c3Cl)c2n1 ZINC000044031970 562651742 /nfs/dbraw/zinc/65/17/42/562651742.db2.gz RMTHOYRNQSAXCC-UHFFFAOYSA-N -1 3 593.577 5.088 1 0 KKAFHM O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)[N-]c2nc3ccccc3c(=O)[nH]2)c(SCc2ccccc2)cc1Cl ZINC000044431064 562657769 /nfs/dbraw/zinc/65/77/69/562657769.db2.gz XSCFIODLIICBMP-UHFFFAOYSA-N -1 3 611.532 6.988 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045228535 562659518 /nfs/dbraw/zinc/65/95/18/562659518.db2.gz XDCYTXNEJKMHIJ-VWLOTQADSA-N -1 3 532.512 5.647 1 0 KKAFHM CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1CCOc1ccc(CCc2nnn[n-]2)cc1 ZINC000045255269 562659910 /nfs/dbraw/zinc/65/99/10/562659910.db2.gz GETOWFJENOAKTJ-UHFFFAOYSA-N -1 3 520.641 5.228 1 0 KKAFHM CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1CCOc1ccc(CCc2nn[n-]n2)cc1 ZINC000045255269 562659911 /nfs/dbraw/zinc/65/99/11/562659911.db2.gz GETOWFJENOAKTJ-UHFFFAOYSA-N -1 3 520.641 5.228 1 0 KKAFHM Cn1c2ccccc2nc1NC(=O)C1CCC(CNC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)CC1 ZINC000049605283 562665620 /nfs/dbraw/zinc/66/56/20/562665620.db2.gz JGEZZOQQUMATMT-UHFFFAOYSA-N -1 3 551.474 6.428 1 0 KKAFHM COc1ccc([C@H](CCC[N-]S(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049678229 562668451 /nfs/dbraw/zinc/66/84/51/562668451.db2.gz JOTYMLKDQAFRFK-IRPSRAIASA-N -1 3 688.872 5.745 1 0 KKAFHM CCC(CC)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ncnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000049709648 562671392 /nfs/dbraw/zinc/67/13/92/562671392.db2.gz OLMQEKNQXYJJDE-GOSISDBHSA-N -1 3 523.002 5.396 1 0 KKAFHM CC(C)(CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049722582 562672249 /nfs/dbraw/zinc/67/22/49/562672249.db2.gz BCCHLNYBYYKRPZ-HSZRJFAPSA-N -1 3 578.544 6.457 1 0 KKAFHM CC(C)(CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049722582 562672250 /nfs/dbraw/zinc/67/22/50/562672250.db2.gz BCCHLNYBYYKRPZ-HSZRJFAPSA-N -1 3 578.544 6.457 1 0 KKAFHM O=C(CCCCCNC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1)NCCc1ccc(Cl)c(Cl)c1 ZINC000049722978 562672734 /nfs/dbraw/zinc/67/27/34/562672734.db2.gz JCBVICHHVLEBJK-UHFFFAOYSA-N -1 3 568.328 7.322 1 0 KKAFHM [O-]c1ccc(C2=Nc3ccccc3S[C@H](c3ccccc3Cl)C2C=Nc2ccc(Cl)cc2)cc1 ZINC000049784710 562683701 /nfs/dbraw/zinc/68/37/01/562683701.db2.gz NCUOSZOHQOHJKP-NYHPBOSBSA-N -1 3 503.454 8.663 1 0 KKAFHM CCOc1cc(CN2CCC(Nc3nc4cc([N-]S(=O)(=O)c5ccccc5)ccc4o3)CC2)ccc1OC ZINC000049803133 562686016 /nfs/dbraw/zinc/68/60/16/562686016.db2.gz FPAJMJGGDZGJPZ-UHFFFAOYSA-N -1 3 536.654 5.112 1 0 in-vitro KKAFHM O=C(CCCn1c2ccc(O)cc2c2c1cc(-c1c(Cl)cccc1Cl)c1c2C(=O)[N-]C1=O)n1ccnc1 ZINC000049872111 562689741 /nfs/dbraw/zinc/68/97/41/562689741.db2.gz XLCHKSGXVNHTKZ-UHFFFAOYSA-N -1 3 533.371 5.675 1 0 KKAFHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@H](CCN2CCC3(C=Cc4ccccc43)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000049938441 562695353 /nfs/dbraw/zinc/69/53/53/562695353.db2.gz IOOZPOJLJXNYOT-RUZDIDTESA-N -1 3 715.742 5.553 1 0 KKAFHM CC(C)(C)c1cc(C(=O)Cn2c3cc(Br)ccc3nc2NCCCO)cc(C(C)(C)C)c1[O-] ZINC000053312724 562697610 /nfs/dbraw/zinc/69/76/10/562697610.db2.gz KJCGFNIQYBDGHO-UHFFFAOYSA-N -1 3 516.480 5.777 1 0 KKAFHM CN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000059245665 562701888 /nfs/dbraw/zinc/70/18/88/562701888.db2.gz LMOHMKCPSMWXEC-UHFFFAOYSA-N -1 3 519.253 7.069 1 0 KKAFHM Cc1ccc(CCc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000060328409 562702803 /nfs/dbraw/zinc/70/28/03/562702803.db2.gz IAESPAJDWLVCFY-QGZVFWFLSA-N -1 3 537.579 5.125 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=C(c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060329088 562702895 /nfs/dbraw/zinc/70/28/95/562702895.db2.gz IYQFCGUDRHCJNH-KRWDZBQOSA-N -1 3 594.606 5.464 1 0 KKAFHM COCCOC1CCC(n2nc(-c3ccc([N-]c4nc5cc(Cl)ccc5o4)c(F)c3)c3c2ncnc3N)CC1 ZINC000063540207 562704527 /nfs/dbraw/zinc/70/45/27/562704527.db2.gz ZHJBAEFYMAHRNP-UHFFFAOYSA-N -1 3 552.010 5.900 1 0 KKAFHM COc1cc(CC(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1[O-] ZINC000064453616 562705673 /nfs/dbraw/zinc/70/56/73/562705673.db2.gz QTGJHORUBMNVER-FQEVSTJZSA-N -1 3 548.518 5.568 1 0 KKAFHM CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)c1ccc([O-])cc1C(=O)[C@H]3Sc1ccc(Br)cc1 ZINC000066058937 562709212 /nfs/dbraw/zinc/70/92/12/562709212.db2.gz QAPGBIHBDTUCKP-BUDVVTLDSA-N -1 3 515.469 6.354 1 0 KKAFHM C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2Cl)CC1)N([O-])C=O)c1ncc(F)cn1 ZINC000066080309 562710715 /nfs/dbraw/zinc/71/07/15/562710715.db2.gz KFGJNQLPIZMSFB-XDHUDOTRSA-N -1 3 595.059 5.062 1 0 KKAFHM Cn1c2cc(C(=O)N[C@@]3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCCNC3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000071341440 562719953 /nfs/dbraw/zinc/71/99/53/562719953.db2.gz HJAAEIUJIWVGHD-ZYUWMNDKSA-N -1 3 605.739 5.877 1 0 KKAFHM Cc1ccc(S(=O)(=O)Oc2cc(OCc3ccc(C(F)(F)F)cc3)c(C=C3SC(=O)[N-]C3=O)cc2Br)cc1 ZINC000072110046 562721720 /nfs/dbraw/zinc/72/17/20/562721720.db2.gz VZLAPPLGBUXEDV-JJFYIABZSA-N -1 3 628.444 6.447 1 0 KKAFHM CC(C)COc1cc(C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])ccc1NC(=O)[C@@H](N)CCc1ccccc1 ZINC000072116681 562723194 /nfs/dbraw/zinc/72/31/94/562723194.db2.gz INHSJDGSZBKJHW-JDXGNMNLSA-N -1 3 567.686 5.199 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc5sc(C(=O)[O-])cc5c4)CCN(C)CC3)ccc2c(C2CCCCC2)c1-c1ccccn1 ZINC000072133967 562727061 /nfs/dbraw/zinc/72/70/61/562727061.db2.gz AAODTGCFMMPBAI-UHFFFAOYSA-N -1 3 649.817 7.034 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000072138043 562728581 /nfs/dbraw/zinc/72/85/81/562728581.db2.gz NNHYDAJISGOSNF-RLCGNTSFSA-N -1 3 654.151 5.441 3 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072141794 562729399 /nfs/dbraw/zinc/72/93/99/562729399.db2.gz DITLBWUCZCNKIY-XDWGWCSASA-N -1 3 643.806 5.515 3 0 KKAFHM CC(C)(C)OC(=O)CCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000072147867 562729934 /nfs/dbraw/zinc/72/99/34/562729934.db2.gz SDKOXJCIAVWNJN-LQJZCPKCSA-N -1 3 664.803 6.936 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CCN(CCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000072148959 562730017 /nfs/dbraw/zinc/73/00/17/562730017.db2.gz UZOCTPARSJOREP-UHFFFAOYSA-N -1 3 744.984 5.815 1 0 KKAFHM CC(C)=CCC/C=C(\C)Cc1c(OC/C=C(\C)CCC=C(C)C)c(C/C=C(\C)CCC=C(C)C)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000072170696 562730341 /nfs/dbraw/zinc/73/03/41/562730341.db2.gz LWJNLOITBZFUBC-LNHZTMRESA-N -1 3 662.955 12.708 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072316993 562733119 /nfs/dbraw/zinc/73/31/19/562733119.db2.gz KZJFTDSHWPSRSJ-UHFFFAOYSA-N -1 3 585.712 6.174 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccc(OC)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072316993 562733120 /nfs/dbraw/zinc/73/31/20/562733120.db2.gz KZJFTDSHWPSRSJ-UHFFFAOYSA-N -1 3 585.712 6.174 1 0 KKAFHM CCCCCNc1ccc2c(c1)[N-]C(=S)[C@H](c1ccc(Cl)cc1)N([C@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073139779 562733481 /nfs/dbraw/zinc/73/34/81/562733481.db2.gz UOEMUDYIXWSFSB-UIOOFZCWSA-N -1 3 570.542 7.446 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccsc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073140138 562733537 /nfs/dbraw/zinc/73/35/37/562733537.db2.gz ORQSRWQAMDJMDY-FTJBHMTQSA-N -1 3 596.561 7.518 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC3CC3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073141706 562733704 /nfs/dbraw/zinc/73/37/04/562733704.db2.gz QGSMGBYZDNINDT-LOSJGSFVSA-N -1 3 554.499 6.666 1 0 KKAFHM O=C(NCCN1CCCC1)c1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000073162136 562734154 /nfs/dbraw/zinc/73/41/54/562734154.db2.gz NXOAOIZUIUYABU-UHFFFAOYSA-N -1 3 602.462 6.431 1 0 KKAFHM O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000073167397 562734596 /nfs/dbraw/zinc/73/45/96/562734596.db2.gz ZQLCCGNZHPPGNP-UHFFFAOYSA-N -1 3 616.489 6.821 1 0 KKAFHM O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000073167775 562734620 /nfs/dbraw/zinc/73/46/20/562734620.db2.gz SYRWJQRNHYCSFQ-UHFFFAOYSA-N -1 3 583.925 5.851 1 0 KKAFHM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4[O-])n3c2)cc1 ZINC000073223238 562736449 /nfs/dbraw/zinc/73/64/49/562736449.db2.gz AAVOCESRNCODHQ-UHFFFAOYSA-N -1 3 603.752 7.366 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(Br)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000082136628 562738965 /nfs/dbraw/zinc/73/89/65/562738965.db2.gz QFNQCJBNRKDDAS-NSOVKSMOSA-N -1 3 669.428 8.219 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc4ccccc4c3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000082136624 562738985 /nfs/dbraw/zinc/73/89/85/562738985.db2.gz ZJYXTZMDAXXAND-ACHIHNKUSA-N -1 3 640.592 8.609 1 0 KKAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(C(F)(F)F)c4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084617259 562744811 /nfs/dbraw/zinc/74/48/11/562744811.db2.gz ZFTVPSJPUDCIHD-IBGZPJMESA-N -1 3 623.709 5.668 1 0 KKAFHM O=C(NCCN1CCCCC1)c1ccc(-c2nc3c4cc(Br)ccc4oc3c(=O)[n-]2)c(Cl)c1 ZINC000084668544 562747681 /nfs/dbraw/zinc/74/76/81/562747681.db2.gz HGARXRXLHSFNEX-UHFFFAOYSA-N -1 3 529.822 5.380 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccccc3F)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084672475 562748805 /nfs/dbraw/zinc/74/88/05/562748805.db2.gz VXNIPEAFWARPJV-UHFFFAOYSA-N -1 3 573.676 6.304 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccccc3F)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084672475 562748806 /nfs/dbraw/zinc/74/88/06/562748806.db2.gz VXNIPEAFWARPJV-UHFFFAOYSA-N -1 3 573.676 6.304 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688297 562749119 /nfs/dbraw/zinc/74/91/19/562749119.db2.gz KBEGAMLYWGDXDB-SFTDATJTSA-N -1 3 553.389 6.863 1 0 KKAFHM COC(=O)[C@@H](c1ccc(F)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688300 562749121 /nfs/dbraw/zinc/74/91/21/562749121.db2.gz CEJQMALQGMVVLS-LEWJYISDSA-N -1 3 536.934 6.349 1 0 KKAFHM Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc([N-]S(=O)(=O)c5ccccc5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095557681 562762218 /nfs/dbraw/zinc/76/22/18/562762218.db2.gz MMOVKWAFRJUUCC-UHFFFAOYSA-N -1 3 780.439 6.816 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566499 562765008 /nfs/dbraw/zinc/76/50/08/562765008.db2.gz UFTUBZJHXRESLK-HHPFYWKMSA-N -1 3 724.723 6.861 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095568659 562766806 /nfs/dbraw/zinc/76/68/06/562766806.db2.gz HPUMWFTUTXMAAY-YPMZNXIVSA-N -1 3 613.780 5.507 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O ZINC000095570293 562768085 /nfs/dbraw/zinc/76/80/85/562768085.db2.gz ZDSSDODBGXDSBP-GJWZSCNASA-N -1 3 678.802 6.095 3 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095570556 562768331 /nfs/dbraw/zinc/76/83/31/562768331.db2.gz IVNKSYFTCQFKFE-NJQVLOCASA-N -1 3 646.810 5.040 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095571538 562769095 /nfs/dbraw/zinc/76/90/95/562769095.db2.gz DEMCBGNJFOTASI-QWQFASRJSA-N -1 3 638.589 5.214 1 0 KKAFHM COC(=O)[C@@H](CCN(C)C)N(C)C(=O)c1c(C)cc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095572126 562769319 /nfs/dbraw/zinc/76/93/19/562769319.db2.gz ONGHAXDNZOLURJ-HHHXNRCGSA-N -1 3 600.181 5.607 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ncccn1 ZINC000095573409 562769689 /nfs/dbraw/zinc/76/96/89/562769689.db2.gz QXOLTQXZKXWZCW-XNTDXEJSSA-N -1 3 606.727 5.224 1 0 KKAFHM COC(=O)[C@H](CCN(C)C)NC(=O)c1c(C)cc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095575764 562770443 /nfs/dbraw/zinc/77/04/43/562770443.db2.gz IPSUNCXYJFSPLS-SANMLTNESA-N -1 3 586.154 5.265 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC2(CC(C(C)(C)C)=NO2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095577922 562771113 /nfs/dbraw/zinc/77/11/13/562771113.db2.gz CRVRTJHAALUFBX-KRWDZBQOSA-N -1 3 613.678 5.192 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598994 562777701 /nfs/dbraw/zinc/77/77/01/562777701.db2.gz LFZLAWVTNRSJHJ-HJBDBDOVSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599419 562778059 /nfs/dbraw/zinc/77/80/59/562778059.db2.gz RXIJSVCALBVVES-BEAGFIRGSA-N -1 3 706.733 6.722 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600021 562778557 /nfs/dbraw/zinc/77/85/57/562778557.db2.gz HEADYOFXZPTIAZ-RUJGDQLBSA-N -1 3 752.828 6.605 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095600080 562778658 /nfs/dbraw/zinc/77/86/58/562778658.db2.gz URXZZUBQVMOKIH-CUMRGQLISA-N -1 3 641.017 5.800 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2CC1=O ZINC000095600768 562779226 /nfs/dbraw/zinc/77/92/26/562779226.db2.gz QYDRUHXYGFHOMI-MVYHEMRASA-N -1 3 626.628 5.137 1 0 KKAFHM Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095600999 562779418 /nfs/dbraw/zinc/77/94/18/562779418.db2.gz HXECTXYQHLRECE-GHVZQYPWSA-N -1 3 719.898 5.051 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095601713 562779755 /nfs/dbraw/zinc/77/97/55/562779755.db2.gz CBAAPWVHONFTKW-QARNLMGBSA-N -1 3 724.843 6.039 1 0 KKAFHM Nc1nc(=O)[n-]c2c1[C@H](c1c3cc(Cl)ccc3[nH]c1-c1ccccc1)C=C(c1ccc(Cl)cc1)O2 ZINC000095601738 562779796 /nfs/dbraw/zinc/77/97/96/562779796.db2.gz BPAWASQNWLRXSI-IBGZPJMESA-N -1 3 501.373 6.373 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095601962 562779855 /nfs/dbraw/zinc/77/98/55/562779855.db2.gz HEADYOFXZPTIAZ-FMNMDZGISA-N -1 3 752.828 6.605 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095604036 562780833 /nfs/dbraw/zinc/78/08/33/562780833.db2.gz FJNSKGNJNIWDNP-VKIDHGPPSA-N -1 3 640.124 5.512 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604586 562781101 /nfs/dbraw/zinc/78/11/01/562781101.db2.gz UIKXZKCHSBRXDR-VUYBWUDLSA-N -1 3 705.840 6.434 1 0 KKAFHM CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1[n-]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000095615980 562787700 /nfs/dbraw/zinc/78/77/00/562787700.db2.gz LYFVNBVFJKZHQF-LJTBLCAVSA-N -1 3 837.805 7.440 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095750261 562788855 /nfs/dbraw/zinc/78/88/55/562788855.db2.gz ZCVYHUVHDQCFKB-CZWSTMTISA-N -1 3 752.352 5.266 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095754506 562788866 /nfs/dbraw/zinc/78/88/66/562788866.db2.gz NNHYDAJISGOSNF-CGQTXMLISA-N -1 3 654.151 5.441 1 0 KKAFHM Cc1cc(-c2c(Cl)ccc([O-])c2F)cc2nnc(Nc3ccc(S(=O)(=O)CCCN4CCCC4)cc3)nc12 ZINC000096167819 562790649 /nfs/dbraw/zinc/79/06/49/562790649.db2.gz NSDHUQIDMUWWBH-UHFFFAOYSA-N -1 3 556.063 5.502 1 0 KKAFHM Cc1cc(-c2c(Cl)ccc([O-])c2F)cc2nnc(Nc3ccc(C(=O)N(C)CCN4CCCC4)cc3)nc12 ZINC000096167825 562790670 /nfs/dbraw/zinc/79/06/70/562790670.db2.gz XLGZSWRWVOETRG-UHFFFAOYSA-N -1 3 535.023 5.410 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1 ZINC000096258260 562792896 /nfs/dbraw/zinc/79/28/96/562792896.db2.gz XOQVPQVLCRKAHN-UHFFFAOYSA-N -1 3 593.775 5.056 1 0 KKAFHM CCc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096270904 562793495 /nfs/dbraw/zinc/79/34/95/562793495.db2.gz DVNKXNBNHDGUFN-MRXNPFEDSA-N -1 3 553.578 5.172 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270920 562793547 /nfs/dbraw/zinc/79/35/47/562793547.db2.gz BPXLDPNUIDKFEV-AQFXKWCLSA-N -1 3 545.599 5.236 1 0 KKAFHM CC(C)CC(CC(C)C)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270948 562793601 /nfs/dbraw/zinc/79/36/01/562793601.db2.gz LBVHMPGWVRIKAI-KRWDZBQOSA-N -1 3 561.642 5.871 1 0 KKAFHM CCCC[C@@H](CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270950 562793613 /nfs/dbraw/zinc/79/36/13/562793613.db2.gz ZNSYELSQJFXBLR-QFBILLFUSA-N -1 3 547.615 5.769 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cc(Cl)cc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270995 562793655 /nfs/dbraw/zinc/79/36/55/562793655.db2.gz GFFVIKLVMCSSNM-CYBMUJFWSA-N -1 3 594.414 5.917 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCC(C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286073 562795973 /nfs/dbraw/zinc/79/59/73/562795973.db2.gz UBXXTUIUNTZNET-PBPGXSGUSA-N -1 3 589.721 6.728 1 0 KKAFHM CCC1CCC(Sc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000096286075 562796008 /nfs/dbraw/zinc/79/60/08/562796008.db2.gz NZHTZLLGTSKFQP-MDCZIUGASA-N -1 3 561.667 6.092 1 0 KKAFHM CCCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000098082427 562805244 /nfs/dbraw/zinc/80/52/44/562805244.db2.gz JYPXUXTWJKUTFS-UHFFFAOYSA-N -1 3 527.632 6.527 1 0 KKAFHM CCCCc1nc2cc(NC(=O)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000098082427 562805245 /nfs/dbraw/zinc/80/52/45/562805245.db2.gz JYPXUXTWJKUTFS-UHFFFAOYSA-N -1 3 527.632 6.527 1 0 KKAFHM CCN(C([O-])=NC(=O)c1c(F)cccc1F)c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000103197285 562815903 /nfs/dbraw/zinc/81/59/03/562815903.db2.gz UUPSXRLJPIVAQR-UHFFFAOYSA-N -1 3 568.713 7.507 1 0 KKAFHM CCN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000103197285 562815904 /nfs/dbraw/zinc/81/59/04/562815904.db2.gz UUPSXRLJPIVAQR-UHFFFAOYSA-N -1 3 568.713 7.507 1 0 KKAFHM CCCCc1nc2ccn(C(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103197460 562815924 /nfs/dbraw/zinc/81/59/24/562815924.db2.gz BCUZAXMZCJSYJE-UHFFFAOYSA-N -1 3 529.604 5.125 1 0 KKAFHM CCCCc1nc2ccn(C(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103197460 562815925 /nfs/dbraw/zinc/81/59/25/562815925.db2.gz BCUZAXMZCJSYJE-UHFFFAOYSA-N -1 3 529.604 5.125 1 0 KKAFHM CN(C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cc1 ZINC000114034773 562826944 /nfs/dbraw/zinc/82/69/44/562826944.db2.gz YPHVNXPTVFQMKI-UHFFFAOYSA-N -1 3 506.433 7.312 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CCCC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000114036941 562827121 /nfs/dbraw/zinc/82/71/21/562827121.db2.gz JFAFUFUXJDNYDV-UHFFFAOYSA-N -1 3 529.040 6.597 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC(N5CC[C@@H](F)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000114039361 562827398 /nfs/dbraw/zinc/82/73/98/562827398.db2.gz LLFLOSXHKVIOKZ-ITAUSPCMSA-N -1 3 538.063 6.629 1 0 KKAFHM O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000137677782 562831531 /nfs/dbraw/zinc/83/15/31/562831531.db2.gz KQXLDXCRFAAFPF-QLODZENZSA-N -1 3 535.062 5.030 1 0 KKAFHM Cc1cccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000138625564 562832105 /nfs/dbraw/zinc/83/21/05/562832105.db2.gz YUQRQEBCGXLGEH-SANMLTNESA-N -1 3 592.659 5.604 1 0 KKAFHM Cc1ccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000138814704 562832207 /nfs/dbraw/zinc/83/22/07/562832207.db2.gz DFCPEYZSYPMKMJ-AREMUKBSSA-N -1 3 592.659 5.604 1 0 KKAFHM O=C(Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccc(C(F)(F)F)cc1 ZINC000138846133 562832220 /nfs/dbraw/zinc/83/22/20/562832220.db2.gz PVVCIFCZLKAOOT-YGKZAACZSA-N -1 3 555.043 6.145 1 0 KKAFHM CC(C)(C)n1cc(CN2CCC3(CN(c4ccc(-c5nnn[n-]5)cc4)C(=O)O3)CC2)c(-c2cc(F)c(Cl)cc2F)n1 ZINC000144585503 562836457 /nfs/dbraw/zinc/83/64/57/562836457.db2.gz BXXSLIJHVRKSAP-UHFFFAOYSA-N -1 3 583.043 5.408 1 0 KKAFHM CCOc1ccc(-c2ccc(F)c(F)c2)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c1 ZINC000144654538 562836560 /nfs/dbraw/zinc/83/65/60/562836560.db2.gz PPDSZBTULLWLDP-UHFFFAOYSA-N -1 3 522.548 5.720 1 0 KKAFHM CCCCn1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(Cc2cc(F)c(F)cc2F)n1 ZINC000144655438 562836562 /nfs/dbraw/zinc/83/65/62/562836562.db2.gz AYLXOSBBMMHOBH-UHFFFAOYSA-N -1 3 556.585 5.381 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc2[nH]ccc21)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145729572 562837578 /nfs/dbraw/zinc/83/75/78/562837578.db2.gz ZSYPNVGGXCSXLT-AWEZNQCLSA-N -1 3 534.535 5.179 1 0 KKAFHM O=C([O-])c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000146006268 562837878 /nfs/dbraw/zinc/83/78/78/562837878.db2.gz LYILZTQKEIMJDW-UHFFFAOYSA-N -1 3 568.035 8.160 1 0 KKAFHM O=C(NCc1ccccc1)c1cccc2[nH]c(=S)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c21 ZINC000169325387 562857578 /nfs/dbraw/zinc/85/75/78/562857578.db2.gz MWIXHWDKHFDCQY-UHFFFAOYSA-N -1 3 517.618 5.150 1 0 KKAFHM O=C(NCc1ccccc1)c1cccc2[nH]c(=S)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c21 ZINC000169325387 562857579 /nfs/dbraw/zinc/85/75/79/562857579.db2.gz MWIXHWDKHFDCQY-UHFFFAOYSA-N -1 3 517.618 5.150 1 0 KKAFHM COc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc1 ZINC000169339721 562860439 /nfs/dbraw/zinc/86/04/39/562860439.db2.gz ZIXQMKJJFGXLGE-HKBQPEDESA-N -1 3 599.782 5.470 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=S)NCc4ccccc4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000169339714 562860486 /nfs/dbraw/zinc/86/04/86/562860486.db2.gz XDPGDIUQGLHHQP-PMERELPUSA-N -1 3 569.756 5.461 1 0 KKAFHM COc1cc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339732 562860504 /nfs/dbraw/zinc/86/05/04/562860504.db2.gz RSHUKIXSTVOUEV-SSEXGKCCSA-N -1 3 659.834 5.487 1 0 KKAFHM CCCCNC(=S)[N-]S(=O)(=O)c1ccc(N2N=C(c3ccc(N(C)C)cc3)C[C@H]2c2ccc(Cl)cc2)cc1 ZINC000169339738 562860514 /nfs/dbraw/zinc/86/05/14/562860514.db2.gz JOXMSJXZLXVZJJ-MHZLTWQESA-N -1 3 570.184 5.715 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc([N-]S(=O)(=O)c2cc(-c3ccsc3)ccc2F)cc1F ZINC000169345206 562861542 /nfs/dbraw/zinc/86/15/42/562861542.db2.gz JGBFZYXPJYFPPR-UHFFFAOYSA-N -1 3 680.799 6.860 1 0 KKAFHM O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@H](C2CCCCC2)C1=C([O-])c1ccc(Br)cc1 ZINC000169694850 562865658 /nfs/dbraw/zinc/86/56/58/562865658.db2.gz LGLKQEOSBZQPJD-DHIUTWEWSA-N -1 3 507.384 5.468 1 0 KKAFHM COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695993 562865860 /nfs/dbraw/zinc/86/58/60/562865860.db2.gz QEWQEZIOKXTKMW-SVBPBHIXSA-N -1 3 505.636 5.637 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696433 562866074 /nfs/dbraw/zinc/86/60/74/562866074.db2.gz RQEOHLMIPYZKQS-NSOVKSMOSA-N -1 3 544.673 5.084 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000169696708 562866264 /nfs/dbraw/zinc/86/62/64/562866264.db2.gz DSIOEIMIAFCEJY-VPUSJEBWSA-N -1 3 529.662 5.243 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000169696707 562866282 /nfs/dbraw/zinc/86/62/82/562866282.db2.gz DSIOEIMIAFCEJY-BDYUSTAISA-N -1 3 529.662 5.243 1 0 KKAFHM Cc1ccc(-c2cc(C)c(Cl)cc2CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cn1 ZINC000169702646 562868493 /nfs/dbraw/zinc/86/84/93/562868493.db2.gz OKRSYMRRHGOLDN-UHFFFAOYSA-N -1 3 506.002 5.708 1 0 KKAFHM CCC1(CC)C[C@@H](NC(=O)NCc2ccc([N-]S(C)(=O)=O)c(F)c2)c2ccc(Cl)c(Cl)c2O1 ZINC000169704425 562868947 /nfs/dbraw/zinc/86/89/47/562868947.db2.gz HJWMIJALLIEDTI-GOSISDBHSA-N -1 3 518.438 5.386 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCN(C)CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000203989737 562874353 /nfs/dbraw/zinc/87/43/53/562874353.db2.gz QGFYSTKZYDFWHP-UHFFFAOYSA-N -1 3 544.055 5.753 1 0 KKAFHM CC(C)(C)OC(=O)C[C@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000204148691 562874384 /nfs/dbraw/zinc/87/43/84/562874384.db2.gz RFTWUDRKAGUCMY-RSXGOPAZSA-N -1 3 564.702 5.997 1 0 KKAFHM CN1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)[N-]c4ccncn4)ccc32)CC1 ZINC000215495609 562877377 /nfs/dbraw/zinc/87/73/77/562877377.db2.gz WBIQMNDNFCNQLO-UHFFFAOYSA-N -1 3 524.568 5.835 1 0 KKAFHM CC(C)c1nc(CN([O-])C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1 ZINC000219071061 562877958 /nfs/dbraw/zinc/87/79/58/562877958.db2.gz VRECTSFAJINQSP-QJANCWQKSA-N -1 3 722.934 5.665 1 0 KKAFHM CC(C)(C)c1ncc(CN2CCc3cc(S(=O)(=O)[N-]c4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220160185 562878395 /nfs/dbraw/zinc/87/83/95/562878395.db2.gz GKNLZBGIGHIVOO-UHFFFAOYSA-N -1 3 564.771 6.785 1 0 KKAFHM CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1ccc(Cl)s1)c(F)cc2[O-] ZINC000299833941 562886333 /nfs/dbraw/zinc/88/63/33/562886333.db2.gz PNBGWUVDTPJVHK-UHFFFAOYSA-N -1 3 592.014 8.885 1 0 KKAFHM CC(C)C(=O)NCc1cnc(C(F)F)c(-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ncc3c(=O)[n-]2)c1 ZINC000299836635 562887275 /nfs/dbraw/zinc/88/72/75/562887275.db2.gz NXZOLQYZYQOURS-UHFFFAOYSA-N -1 3 517.458 5.688 1 0 KKAFHM O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(N2C(=O)[N-]C(=O)[C@@H]2c2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000299862951 562893701 /nfs/dbraw/zinc/89/37/01/562893701.db2.gz ODNOKJSOBOYHLS-ATQPMWLLSA-N -1 3 642.778 5.193 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)cc1)CC2 ZINC000473136006 562900899 /nfs/dbraw/zinc/90/08/99/562900899.db2.gz MRAKHNCPOIFKDK-UHFFFAOYSA-N -1 3 639.696 6.377 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc1)CC2 ZINC000473137006 562901119 /nfs/dbraw/zinc/90/11/19/562901119.db2.gz WEEQDXIWMATHMB-UHFFFAOYSA-N -1 3 640.589 6.665 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473153308 562901962 /nfs/dbraw/zinc/90/19/62/562901962.db2.gz ADRFTGFMFLEDRL-HNNXBMFYSA-N -1 3 575.049 6.582 1 0 KKAFHM COc1ccc(C(NC(=O)CC2c3cccc([O-])c3C(=O)c3c(O)cccc32)c2ccc(OC)cc2)cc1 ZINC000473154611 562902193 /nfs/dbraw/zinc/90/21/93/562902193.db2.gz JHYMJAWAFNBSCE-UHFFFAOYSA-N -1 3 509.558 5.087 1 0 KKAFHM CCCCCCSc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473156113 562902480 /nfs/dbraw/zinc/90/24/80/562902480.db2.gz SMFAQDNMOWGBSL-MRXNPFEDSA-N -1 3 534.641 6.308 1 0 KKAFHM CCCCCCOc1cc(C(C)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473160528 562902746 /nfs/dbraw/zinc/90/27/46/562902746.db2.gz YFNUARUHUDBNGY-KRWDZBQOSA-N -1 3 514.610 5.688 1 0 KKAFHM N[C@@H](O)c1ccc(Cl)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])c1 ZINC000473180335 562903482 /nfs/dbraw/zinc/90/34/82/562903482.db2.gz OPGDPEUJYNJTET-NRFANRHFSA-N -1 3 505.810 6.752 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2C)CC1 ZINC000473183375 562903612 /nfs/dbraw/zinc/90/36/12/562903612.db2.gz VCRREDPIUQOOIB-XMERXJNXSA-N -1 3 555.506 5.472 1 0 KKAFHM CCc1cc(CN([C@@H](C)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCN1C(=O)CCC1=O ZINC000473229075 562904423 /nfs/dbraw/zinc/90/44/23/562904423.db2.gz UFAJMGVYFKCDJP-BULFRSBZSA-N -1 3 547.479 5.510 1 0 KKAFHM CCc1cc(CN([C@H](C)c2ccc(Cl)c(Cl)c2)[C@H]2C[C@@H](C(=O)[O-])C2)ccc1OCCN1C(=O)CCC1=O ZINC000473229076 562904456 /nfs/dbraw/zinc/90/44/56/562904456.db2.gz UFAJMGVYFKCDJP-YHYVQYDKSA-N -1 3 547.479 5.510 1 0 KKAFHM O=C([O-])[C@H]1CC[C@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(F)c2)[C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000473244393 562904821 /nfs/dbraw/zinc/90/48/21/562904821.db2.gz JSMBJMKJKHRGQN-YMJPAYASSA-N -1 3 575.052 5.527 1 0 KKAFHM COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc([C@]([O-])(c5ccc(Cl)cc5)C(F)(F)F)n4)o3)nc2s1 ZINC000653670667 562906169 /nfs/dbraw/zinc/90/61/69/562906169.db2.gz UPWRYEAGKLIQQY-RUZDIDTESA-N -1 3 623.034 6.708 1 0 KKAFHM Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc3c(S(=O)(=O)[N-]C4CC4)cnn32)c1 ZINC000653760005 562911212 /nfs/dbraw/zinc/91/12/12/562911212.db2.gz AWBXGBQIUQACRG-UHFFFAOYSA-N -1 3 583.089 5.034 1 0 KKAFHM CC(C)Cc1cc(-c2oc3cc([O-])cc(O[C@H](CO)CCCO)c3c(=O)c2O)cc(Cc2cccc(C[NH2+]C3CCCCC3)c2)c1[O-] ZINC000085569391 565145267 /nfs/dbraw/zinc/14/52/67/565145267.db2.gz UGVUFQWBEDSZFV-HKBQPEDESA-N -1 3 645.793 6.301 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595183 565152723 /nfs/dbraw/zinc/15/27/23/565152723.db2.gz CGLLRNMHWMYYPT-ULWFEMJKSA-N -1 3 692.769 5.230 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595183 565152727 /nfs/dbraw/zinc/15/27/27/565152727.db2.gz CGLLRNMHWMYYPT-ULWFEMJKSA-N -1 3 692.769 5.230 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(Cc3ccnc(N)c3)c2O[C@@]1(C)C[C@@H](CCCCC)c1ccc(N)nc1 ZINC000085595249 565152986 /nfs/dbraw/zinc/15/29/86/565152986.db2.gz ABBGOPVLOSPHJF-JXVGIBGFSA-N -1 3 656.780 5.862 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(Cc3ccnc(N)c3)c2O[C@@]1(C)C[C@@H](CCCCC)c1ccc(N)nc1 ZINC000085595249 565152989 /nfs/dbraw/zinc/15/29/89/565152989.db2.gz ABBGOPVLOSPHJF-JXVGIBGFSA-N -1 3 656.780 5.862 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c3c2O[C@@]1(C)[C@H]1Cc2cnc(NCC)cc2CC2=C1C(=CC2)c1c(N)nccc1C3 ZINC000150346525 565202066 /nfs/dbraw/zinc/20/20/66/565202066.db2.gz YZFZGDQJDSPPDO-ZFQTUCJXSA-N -1 3 688.781 5.470 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c3c2O[C@@]1(C)[C@H]1Cc2cnc(NCC)cc2CC2=C1C(=CC2)c1c(N)nccc1C3 ZINC000150346525 565202072 /nfs/dbraw/zinc/20/20/72/565202072.db2.gz YZFZGDQJDSPPDO-ZFQTUCJXSA-N -1 3 688.781 5.470 1 0 biogenic,in-vitro KKAFHM CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000002004071 561680410 /nfs/dbraw/zinc/68/04/10/561680410.db2.gz TVCZOSYDEOWRTM-UHFFFAOYSA-N -1 3 516.074 6.462 1 0 KKAFHM CCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000002004071 561680412 /nfs/dbraw/zinc/68/04/12/561680412.db2.gz TVCZOSYDEOWRTM-UHFFFAOYSA-N -1 3 516.074 6.462 1 0 KKAFHM [O-]c1ccc2ccccc2c1-c1nnc(CCCCCCCCc2nnc(-c3c(O)ccc4ccccc43)o2)o1 ZINC000001859715 561679767 /nfs/dbraw/zinc/67/97/67/561679767.db2.gz LMUIUBHMIJCJHX-UHFFFAOYSA-N -1 3 534.616 7.630 1 0 KKAFHM COc1cc(-c2coc3cc(OCc4ccccc4)c(OC)c(=O)c-3c2[O-])cc(OCc2ccccc2)c1OC ZINC000003198802 561681592 /nfs/dbraw/zinc/68/15/92/561681592.db2.gz BDFCYBFDARSRDM-UHFFFAOYSA-N -1 3 540.568 6.349 3 0 in-vitro KKAFHM CCCCc1nc2ccc([C@@H]3CC[C@H]4CCCC[C@@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003842575 561683960 /nfs/dbraw/zinc/68/39/60/561683960.db2.gz WTVPTPQDMRYJAD-LNMMVMNESA-N -1 3 574.729 7.045 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC[C@H]4CCCC[C@@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003842575 561683961 /nfs/dbraw/zinc/68/39/61/561683961.db2.gz WTVPTPQDMRYJAD-LNMMVMNESA-N -1 3 574.729 7.045 1 0 KKAFHM CCCCc1nc2ccc([C@H]3OC[C@@H]4[C@H]5CCC(C)(C)N5O[C@H]34)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003842997 561684154 /nfs/dbraw/zinc/68/41/54/561684154.db2.gz WOAIFBDCDAQVMS-PXTDVBALSA-N -1 3 617.754 5.879 1 0 KKAFHM CCCCc1nc2ccc([C@H]3OC[C@@H]4[C@H]5CCC(C)(C)N5O[C@H]34)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003842997 561684156 /nfs/dbraw/zinc/68/41/56/561684156.db2.gz WOAIFBDCDAQVMS-PXTDVBALSA-N -1 3 617.754 5.879 1 0 KKAFHM O=Cc1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013493102 561716549 /nfs/dbraw/zinc/71/65/49/561716549.db2.gz UWCZSTHYLRBLJW-NDEPHWFRSA-N -1 3 504.498 5.075 1 0 KKAFHM CN(C[C@H]1CCCN(C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000013646582 561722696 /nfs/dbraw/zinc/72/26/96/561722696.db2.gz AWVLDLUQVKNAMT-QFIPXVFZSA-N -1 3 501.671 5.854 1 0 KKAFHM CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N([O-])C(=O)OC(C)(C)C)cc2[C@@H](c2ccccc2)[C@H]1O ZINC000013672951 561723740 /nfs/dbraw/zinc/72/37/40/561723740.db2.gz MFYRFHVYMXIBFZ-FKCDAAJZSA-N -1 3 503.661 5.684 1 0 KKAFHM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc2c(ccn2Cc2nnn[n-]2)c1 ZINC000013677996 561724309 /nfs/dbraw/zinc/72/43/09/561724309.db2.gz GVEKQMWTSBRZTD-UHFFFAOYSA-N -1 3 500.481 5.163 1 0 KKAFHM CCCc1c2onc(C(F)(F)F)c2ccc1OCCCOc1ccc2c(ccn2Cc2nn[n-]n2)c1 ZINC000013677996 561724310 /nfs/dbraw/zinc/72/43/10/561724310.db2.gz GVEKQMWTSBRZTD-UHFFFAOYSA-N -1 3 500.481 5.163 1 0 KKAFHM Cc1ccc([C@@H](OC2CCN(CCCOc3ccc4c(=O)cc(C(=O)[O-])oc4c3)CC2)c2ccccc2)cc1 ZINC000013741953 561726232 /nfs/dbraw/zinc/72/62/32/561726232.db2.gz GLFTVXSDNSCQJU-HKBQPEDESA-N -1 3 527.617 5.839 1 0 KKAFHM CCCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000013827749 561732984 /nfs/dbraw/zinc/73/29/84/561732984.db2.gz AGYVFNSALNXVCC-UHFFFAOYSA-N -1 3 513.664 5.011 1 0 KKAFHM CCCCc1nn(C[C@H](OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832255 561733604 /nfs/dbraw/zinc/73/36/04/561733604.db2.gz WXKLDJKUANKVBN-MHZLTWQESA-N -1 3 523.641 5.061 1 0 KKAFHM CCCCc1nn(C[C@H](OCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832255 561733605 /nfs/dbraw/zinc/73/36/05/561733605.db2.gz WXKLDJKUANKVBN-MHZLTWQESA-N -1 3 523.641 5.061 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC(c4ccc(C)cc4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014278355 561739007 /nfs/dbraw/zinc/73/90/07/561739007.db2.gz BLPQBVBBFOCDQQ-XIFFEERXSA-N -1 3 595.707 6.809 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC(c4ccc(C)cc4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014278355 561739010 /nfs/dbraw/zinc/73/90/10/561739010.db2.gz BLPQBVBBFOCDQQ-XIFFEERXSA-N -1 3 595.707 6.809 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC[C@@H]4CCC[C@@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014285626 561739158 /nfs/dbraw/zinc/73/91/58/561739158.db2.gz FMWJXVVDCILAHE-AHCWXFLVSA-N -1 3 560.702 6.655 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC[C@@H]4CCC[C@@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014285626 561739159 /nfs/dbraw/zinc/73/91/59/561739159.db2.gz FMWJXVVDCILAHE-AHCWXFLVSA-N -1 3 560.702 6.655 1 0 KKAFHM CC(C)(C)OC(=O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2ccc(Cl)cc2o1 ZINC000014971652 561751306 /nfs/dbraw/zinc/75/13/06/561751306.db2.gz UFUIWSCEKYYNSU-AHWVRZQESA-N -1 3 599.147 6.651 1 0 KKAFHM C[C@@H](CN1C(=O)Cc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2cccc(Cl)c2o1 ZINC000014971625 561751314 /nfs/dbraw/zinc/75/13/14/561751314.db2.gz DLQIZWCJJBWHIA-AOMKIAJQSA-N -1 3 513.013 5.465 1 0 KKAFHM CCCC[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000014972266 561751507 /nfs/dbraw/zinc/75/15/07/561751507.db2.gz QQZSKYDYMQGTTF-UKILVPOCSA-N -1 3 623.698 5.211 1 0 KKAFHM C[C@@H](OC[C@H](c1ccccc1)N1CCN(CC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022927016 561759947 /nfs/dbraw/zinc/75/99/47/561759947.db2.gz WOLHPOWZBHRGTD-IIBYNOLFSA-N -1 3 504.471 5.245 1 0 KKAFHM CC1(C)CC2(CC(C)(C)c3cc(I)c(O)cc32)c2cc([O-])c(I)cc21 ZINC000026169443 561769728 /nfs/dbraw/zinc/76/97/28/561769728.db2.gz WAPOQQAKVDHZNM-UHFFFAOYSA-N -1 3 560.213 5.956 1 0 KKAFHM CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C1=C([O-])c1ccc2c(c1OC)OCO2 ZINC000026250866 561774095 /nfs/dbraw/zinc/77/40/95/561774095.db2.gz ZGTFYUUHNMVNKA-DKBARHJHSA-N -1 3 686.795 6.020 1 0 KKAFHM COc1cc2c(cc1OCCCCCC(=O)N1C[C@H](C)c3c1cc([O-])c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026272921 561777607 /nfs/dbraw/zinc/77/76/07/561777607.db2.gz VJWQERHWYHWFFK-SFTDATJTSA-N -1 3 541.648 5.964 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccc(C(=O)N(c3ccccc3)c3ccccc3)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026379915 561783202 /nfs/dbraw/zinc/78/32/02/561783202.db2.gz FKCMDMVCVNAORO-UHFFFAOYSA-N -1 3 701.831 8.629 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccc(C(=O)N(c3ccccc3)c3ccccc3)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026379915 561783203 /nfs/dbraw/zinc/78/32/03/561783203.db2.gz FKCMDMVCVNAORO-UHFFFAOYSA-N -1 3 701.831 8.629 1 0 KKAFHM CCCCc1nc2cccc(C(=O)O[C@H](C)OC(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026394788 561786717 /nfs/dbraw/zinc/78/67/17/561786717.db2.gz NXVJZGNXNUTXSE-FQEVSTJZSA-N -1 3 568.634 5.950 1 0 KKAFHM CCCCc1nc2cccc(C(=O)O[C@H](C)OC(=O)OCC)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026394788 561786719 /nfs/dbraw/zinc/78/67/19/561786719.db2.gz NXVJZGNXNUTXSE-FQEVSTJZSA-N -1 3 568.634 5.950 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)OCC3CC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026403947 561789191 /nfs/dbraw/zinc/78/91/91/561789191.db2.gz JBKGIUMWYFUKEY-UHFFFAOYSA-N -1 3 568.590 5.008 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)OCC3CC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026403947 561789193 /nfs/dbraw/zinc/78/91/93/561789193.db2.gz JBKGIUMWYFUKEY-UHFFFAOYSA-N -1 3 568.590 5.008 1 0 KKAFHM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000026491880 561793559 /nfs/dbraw/zinc/79/35/59/561793559.db2.gz ZNEZCXJJIUHKKH-JUJMZJBPSA-N -1 3 626.754 6.421 1 0 KKAFHM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000026569022 561797632 /nfs/dbraw/zinc/79/76/32/561797632.db2.gz DNDNLFXKQSTINI-VSGBNLITSA-N -1 3 584.721 5.965 1 0 KKAFHM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000026569022 561797635 /nfs/dbraw/zinc/79/76/35/561797635.db2.gz DNDNLFXKQSTINI-VSGBNLITSA-N -1 3 584.721 5.965 1 0 KKAFHM CCCCCOC(=O)[C@H](c1ccccc1)n1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1=O ZINC000026579306 561804495 /nfs/dbraw/zinc/80/44/95/561804495.db2.gz ZCZPDHRFQRSAEH-XIFFEERXSA-N -1 3 629.765 6.759 1 0 KKAFHM CCCCCOC(=O)[C@H](c1ccccc1)n1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1=O ZINC000026579306 561804496 /nfs/dbraw/zinc/80/44/96/561804496.db2.gz ZCZPDHRFQRSAEH-XIFFEERXSA-N -1 3 629.765 6.759 1 0 KKAFHM CCCCCOC(=O)[C@@H](c1ccccc1)n1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1=O ZINC000026579305 561804506 /nfs/dbraw/zinc/80/45/06/561804506.db2.gz ZCZPDHRFQRSAEH-MGBGTMOVSA-N -1 3 629.765 6.759 1 0 KKAFHM CCCCCOC(=O)[C@@H](c1ccccc1)n1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1=O ZINC000026579305 561804508 /nfs/dbraw/zinc/80/45/08/561804508.db2.gz ZCZPDHRFQRSAEH-MGBGTMOVSA-N -1 3 629.765 6.759 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)NC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579964 561805335 /nfs/dbraw/zinc/80/53/35/561805335.db2.gz MIWSDTUKNCRSRG-WJOKGBTCSA-N -1 3 600.727 5.550 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)NC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579964 561805336 /nfs/dbraw/zinc/80/53/36/561805336.db2.gz MIWSDTUKNCRSRG-WJOKGBTCSA-N -1 3 600.727 5.550 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3cccc(Cl)c3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579942 561805358 /nfs/dbraw/zinc/80/53/58/561805358.db2.gz UVLQAMPEDCFOIG-WJOKGBTCSA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3cccc(Cl)c3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579942 561805360 /nfs/dbraw/zinc/80/53/60/561805360.db2.gz UVLQAMPEDCFOIG-WJOKGBTCSA-N -1 3 636.156 6.630 1 0 KKAFHM CCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026638207 561806160 /nfs/dbraw/zinc/80/61/60/561806160.db2.gz LIJXFCGIXHNODY-LJAQVGFWSA-N -1 3 573.657 5.197 1 0 KKAFHM CCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026638207 561806162 /nfs/dbraw/zinc/80/61/62/561806162.db2.gz LIJXFCGIXHNODY-LJAQVGFWSA-N -1 3 573.657 5.197 1 0 KKAFHM COc1cccc2c(-c3cccc(N)c3)cc(-c3cc(-c4cccc(N)c4)c4cccc(OC)c4c3O)c([O-])c12 ZINC000026651826 561808624 /nfs/dbraw/zinc/80/86/24/561808624.db2.gz KIAXFIRYRUTFQR-UHFFFAOYSA-N -1 3 528.608 7.587 1 0 KKAFHM CCCCc1nn(-c2ccccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026664132 561810926 /nfs/dbraw/zinc/81/09/26/561810926.db2.gz BGVVQFKZMVLQSY-UHFFFAOYSA-N -1 3 541.055 6.483 1 0 KKAFHM CCCCc1nn(-c2ccccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026664132 561810927 /nfs/dbraw/zinc/81/09/27/561810927.db2.gz BGVVQFKZMVLQSY-UHFFFAOYSA-N -1 3 541.055 6.483 1 0 KKAFHM CN(C[C@@H](CCN1CCC(c2ccccc2[S@](C)=O)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(C(=O)[O-])cc2ccccc21 ZINC000026670509 561812288 /nfs/dbraw/zinc/81/22/88/561812288.db2.gz USWLLEIXXQAPOW-HPXOLRGVSA-N -1 3 651.656 7.708 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2SCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nnn[n-]2)c3S1 ZINC000026674137 561813358 /nfs/dbraw/zinc/81/33/58/561813358.db2.gz BFCKURJEBJHCHO-HSZRJFAPSA-N -1 3 651.305 9.059 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2SCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nn[n-]n2)c3S1 ZINC000026674137 561813360 /nfs/dbraw/zinc/81/33/60/561813360.db2.gz BFCKURJEBJHCHO-HSZRJFAPSA-N -1 3 651.305 9.059 1 0 KKAFHM COc1ccccc1N1CCN(CCCCCCOc2ccc(C(=O)Nc3ccccc3OCCCC(=O)[O-])cc2)CC1 ZINC000026743733 561818506 /nfs/dbraw/zinc/81/85/06/561818506.db2.gz OONATLPUZFLUCK-UHFFFAOYSA-N -1 3 589.733 5.953 1 0 KKAFHM COc1ccccc1N1CCN(CCCCOc2ccc(C(=O)Nc3ccccc3OCCCC(=O)[O-])cc2)CC1 ZINC000026749351 561819482 /nfs/dbraw/zinc/81/94/82/561819482.db2.gz WLSFNAXEYCGJIJ-UHFFFAOYSA-N -1 3 561.679 5.172 1 0 KKAFHM COc1ccccc1N1CCN(CCC[C@@H](Oc2ccc(C(=O)Nc3ccccc3OCCCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000026752611 561819944 /nfs/dbraw/zinc/81/99/44/561819944.db2.gz DXJABSUQJDCZLA-UUWRZZSWSA-N -1 3 637.777 6.914 1 0 KKAFHM COc1ccccc1N1CCN(CCC[C@H](Oc2ccc(C(=O)Nc3ccccc3OCCCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000026752616 561820056 /nfs/dbraw/zinc/82/00/56/561820056.db2.gz DXJABSUQJDCZLA-UMSFTDKQSA-N -1 3 637.777 6.914 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC/C=C(/C)CC ZINC000026978167 561831056 /nfs/dbraw/zinc/83/10/56/561831056.db2.gz TZBHBTKNWHQRCI-ISBQNQPQSA-N -1 3 500.680 5.449 1 0 KKAFHM Cc1cc(OCCCN2CCOCC2)cc(C)c1N1C(=O)NCc2cc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)ccc21 ZINC000027109843 561841232 /nfs/dbraw/zinc/84/12/32/561841232.db2.gz JZLHBLIQIASMQM-UHFFFAOYSA-N -1 3 603.116 5.359 1 0 KKAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc(OC)c(OC)c3)nc2)cc1OC ZINC000027331506 561855173 /nfs/dbraw/zinc/85/51/73/561855173.db2.gz PFSAOBZGNQDTPJ-GDLZYMKVSA-N -1 3 536.588 5.129 1 0 KKAFHM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2N2[N-]C(c3ccccc3)=N[S@]2=O)cc1 ZINC000027517724 561861437 /nfs/dbraw/zinc/86/14/37/561861437.db2.gz CWBLZOFHSHWZSA-LHEWISCISA-N -1 3 520.662 5.676 1 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H]([N-]S(=O)(=O)c2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000027523208 561864876 /nfs/dbraw/zinc/86/48/76/561864876.db2.gz NXEKMMKJEQUKOX-HSZRJFAPSA-N -1 3 556.631 6.440 1 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)CC[C@@H]([N-]S(=O)(=O)c2cccs2)CC3)c1-c1ccc(C(F)(F)F)cc1 ZINC000027524297 561865729 /nfs/dbraw/zinc/86/57/29/561865729.db2.gz MLJWCPIALKPLOS-DEOSSOPVSA-N -1 3 584.685 7.221 1 0 KKAFHM CCCCc1nc(C)n(Cc2ccsc2C(=O)OC)c(=O)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027552017 561868134 /nfs/dbraw/zinc/86/81/34/561868134.db2.gz FTUWAJHINSCXPO-UHFFFAOYSA-N -1 3 554.676 5.229 1 0 KKAFHM CCCCc1nc(C)n(Cc2ccsc2C(=O)OC)c(=O)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027552017 561868135 /nfs/dbraw/zinc/86/81/35/561868135.db2.gz FTUWAJHINSCXPO-UHFFFAOYSA-N -1 3 554.676 5.229 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C2CCCCC2)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027712511 561879866 /nfs/dbraw/zinc/87/98/66/561879866.db2.gz QCHIKUDBAALGIC-BJKOFHAPSA-N -1 3 558.672 6.658 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC ZINC000027712502 561879928 /nfs/dbraw/zinc/87/99/28/561879928.db2.gz TWOSZZZGHRJMJC-FGZHOGPDSA-N -1 3 532.634 6.126 1 0 KKAFHM COc1cc(O)c2c([O-])c3c(cc2c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1)O[C@H](C)[C@H](C)C3=O ZINC000027762512 561884203 /nfs/dbraw/zinc/88/42/03/561884203.db2.gz OGLPFNHXTUEWNW-CAOSSQGBSA-N -1 3 602.636 6.305 1 0 KKAFHM COc1cc([O-])c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1)O[C@H](C)[C@H](C)C3=O ZINC000027762512 561884206 /nfs/dbraw/zinc/88/42/06/561884206.db2.gz OGLPFNHXTUEWNW-CAOSSQGBSA-N -1 3 602.636 6.305 1 0 KKAFHM COc1cc(O)c2c([O-])c3c(cc2c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1)O[C@@H](C)[C@H](C)C3=O ZINC000027762527 561884230 /nfs/dbraw/zinc/88/42/30/561884230.db2.gz OGLPFNHXTUEWNW-YHUYYLMFSA-N -1 3 602.636 6.305 1 0 KKAFHM COc1cc([O-])c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1)O[C@@H](C)[C@H](C)C3=O ZINC000027762527 561884232 /nfs/dbraw/zinc/88/42/32/561884232.db2.gz OGLPFNHXTUEWNW-YHUYYLMFSA-N -1 3 602.636 6.305 1 0 KKAFHM CO[C@H]([N-]C(=O)C(F)(F)C(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000028227716 561908424 /nfs/dbraw/zinc/90/84/24/561908424.db2.gz DANCRRCGFMLOMO-ROCBYOHGSA-N -1 3 667.750 5.193 1 0 KKAFHM CN(C)c1nc(NCC2CCC(C[N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028332800 561912956 /nfs/dbraw/zinc/91/29/56/561912956.db2.gz NWUCPBLQECHRFK-UHFFFAOYSA-N -1 3 616.504 5.554 1 0 in-vivo KKAFHM C[C@]1(C2CCCC2)Cc2cc(OCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028339273 561913860 /nfs/dbraw/zinc/91/38/60/561913860.db2.gz RBWXCWNWUNBVQW-XMMPIXPASA-N -1 3 500.386 5.126 1 0 KKAFHM C[C@]1(C2CCCC2)Cc2cc(OCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028339273 561913861 /nfs/dbraw/zinc/91/38/61/561913861.db2.gz RBWXCWNWUNBVQW-XMMPIXPASA-N -1 3 500.386 5.126 1 0 KKAFHM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(c4nnn[n-]4)CC3)ncn2)cc1C(F)(F)F ZINC000028348336 561915285 /nfs/dbraw/zinc/91/52/85/561915285.db2.gz BKXTXBYRPWNSJQ-UHFFFAOYSA-N -1 3 525.604 6.334 1 0 KKAFHM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(c4nn[n-]n4)CC3)ncn2)cc1C(F)(F)F ZINC000028348336 561915286 /nfs/dbraw/zinc/91/52/86/561915286.db2.gz BKXTXBYRPWNSJQ-UHFFFAOYSA-N -1 3 525.604 6.334 1 0 KKAFHM O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028366284 561917640 /nfs/dbraw/zinc/91/76/40/561917640.db2.gz DYQWXULBDYXHII-UHFFFAOYSA-N -1 3 666.125 6.880 1 0 KKAFHM CN1CCN(CC(=O)Nc2ccc(Sc3c(=O)[nH]c4ccc(C(F)(F)F)cc4c3-c3cc(Cl)ccc3[O-])cc2)CC1 ZINC000028387058 561921444 /nfs/dbraw/zinc/92/14/44/561921444.db2.gz NNRKUMJYZKKVBP-UHFFFAOYSA-N -1 3 603.066 5.910 1 0 KKAFHM CCS(=O)(=O)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028392615 561922674 /nfs/dbraw/zinc/92/26/74/561922674.db2.gz FKZCAKHJEQFLSZ-UHFFFAOYSA-N -1 3 554.999 6.486 1 0 KKAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(-c2ccccc2)cc1 ZINC000028397272 561923318 /nfs/dbraw/zinc/92/33/18/561923318.db2.gz QSXPMWUXAYIFPC-VCXUBWRJSA-N -1 3 549.756 5.264 1 0 KKAFHM CN(C)[C@H]1CN[C@@H](C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccc(Cl)cc2)C1 ZINC000028469349 561926778 /nfs/dbraw/zinc/92/67/78/561926778.db2.gz NVFAYGFBOQLQLC-ISKFKSNPSA-N -1 3 508.062 5.569 1 0 KKAFHM COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Cl)c1[O-] ZINC000028881490 561976881 /nfs/dbraw/zinc/97/68/81/561976881.db2.gz GICQMHCQNYMKGA-FQEVSTJZSA-N -1 3 507.096 5.083 1 0 KKAFHM COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1[O-] ZINC000028881442 561976892 /nfs/dbraw/zinc/97/68/92/561976892.db2.gz GYJZIUBHPYGBAE-FQEVSTJZSA-N -1 3 626.601 5.715 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1[O-] ZINC000028881839 561977136 /nfs/dbraw/zinc/97/71/36/561977136.db2.gz FGGWJKJSKSBPIX-FQEVSTJZSA-N -1 3 612.574 5.468 1 0 KKAFHM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H]([N-]S(=O)(=O)c2ccc(-c4ccon4)s2)C3)cc2ccccc21 ZINC000028949635 561980795 /nfs/dbraw/zinc/98/07/95/561980795.db2.gz AOVLEUVYXSWIDO-JOCHJYFZSA-N -1 3 561.685 6.254 1 0 KKAFHM COc1cc(OC)c2c([O-])c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(cc54)[C@H](O)[C@H](C)OC6)c2c1)[C@H](O)[C@H](C)OC3 ZINC000028969717 561985675 /nfs/dbraw/zinc/98/56/75/561985675.db2.gz WRSWUZPYBGDARY-CUAUGLLKSA-N -1 3 578.614 5.010 1 0 KKAFHM O=C1[C@@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-c2ccccc2C(F)(F)F)cn1 ZINC000028979660 561988263 /nfs/dbraw/zinc/98/82/63/561988263.db2.gz DYLIAHZHSNMERV-KSEUIEODSA-N -1 3 527.977 5.178 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029250134 562011139 /nfs/dbraw/zinc/01/11/39/562011139.db2.gz OWDDEEYXFQMTKC-UHFFFAOYSA-N -1 3 617.713 6.701 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029250134 562011141 /nfs/dbraw/zinc/01/11/41/562011141.db2.gz OWDDEEYXFQMTKC-UHFFFAOYSA-N -1 3 617.713 6.701 1 0 KKAFHM CC(C)Cc1nc(-c2ccccc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)[N-][C@@H](CC(C)C)C(=O)NCc3ccccn3)nnc12 ZINC000029336274 562014417 /nfs/dbraw/zinc/01/44/17/562014417.db2.gz YFNMAILKOUELHL-CDZUIXILSA-N -1 3 744.888 5.434 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3F)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029396625 562018777 /nfs/dbraw/zinc/01/87/77/562018777.db2.gz ZWJUNLRWRHFLJR-UHFFFAOYSA-N -1 3 533.611 5.623 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3F)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029396625 562018779 /nfs/dbraw/zinc/01/87/79/562018779.db2.gz ZWJUNLRWRHFLJR-UHFFFAOYSA-N -1 3 533.611 5.623 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029397217 562018954 /nfs/dbraw/zinc/01/89/54/562018954.db2.gz KKEZJPJXBCCERR-UHFFFAOYSA-N -1 3 550.066 6.138 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029397217 562018956 /nfs/dbraw/zinc/01/89/56/562018956.db2.gz KKEZJPJXBCCERR-UHFFFAOYSA-N -1 3 550.066 6.138 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@H]4CCC[C@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029484429 562027935 /nfs/dbraw/zinc/02/79/35/562027935.db2.gz HFSBXIQXFLGAIT-RSGWKFRKSA-N -1 3 561.690 5.721 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@H]4CCC[C@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029484429 562027938 /nfs/dbraw/zinc/02/79/38/562027938.db2.gz HFSBXIQXFLGAIT-RSGWKFRKSA-N -1 3 561.690 5.721 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)OC[C@@H]4ON3Cc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029485326 562028109 /nfs/dbraw/zinc/02/81/09/562028109.db2.gz QAJPSJBFQOHNJI-MKTDKWDHSA-N -1 3 653.743 5.665 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)OC[C@@H]4ON3Cc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029485326 562028112 /nfs/dbraw/zinc/02/81/12/562028112.db2.gz QAJPSJBFQOHNJI-MKTDKWDHSA-N -1 3 653.743 5.665 1 0 KKAFHM C[C@H](c1cccs1)N(Cc1ccco1)C(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000033356468 562037263 /nfs/dbraw/zinc/03/72/63/562037263.db2.gz KLGDKPLAQONLHF-XHCCPWGMSA-N -1 3 549.674 5.035 1 0 KKAFHM CCCCc1nc2ccc([C@H](CC)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222147 562051665 /nfs/dbraw/zinc/05/16/65/562051665.db2.gz DGPXDQDRMMOLQQ-MHZLTWQESA-N -1 3 508.626 5.732 1 0 KKAFHM CCCCc1nc2ccc([C@H](CC)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222147 562051666 /nfs/dbraw/zinc/05/16/66/562051666.db2.gz DGPXDQDRMMOLQQ-MHZLTWQESA-N -1 3 508.626 5.732 1 0 KKAFHM CCCCN(CCCC)C(=O)[C@H](C)N1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000036248022 562052286 /nfs/dbraw/zinc/05/22/86/562052286.db2.gz MUDAUNJNTOHWSU-AJMXSWDOSA-N -1 3 524.658 5.083 1 0 KKAFHM CC(C)(C)C(=O)SCCOP(=O)(OCCSC(=O)C(C)(C)C)Oc1ccc([O-])c(C=O)c1 ZINC000040565152 562077913 /nfs/dbraw/zinc/07/79/13/562077913.db2.gz HCEKCXYYJQDRLC-UHFFFAOYSA-N -1 3 506.579 5.337 1 0 KKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCCC[C@@H]2C2CCCCC2)C1 ZINC000040764406 562079520 /nfs/dbraw/zinc/07/95/20/562079520.db2.gz SHDHBLVWXCEYRQ-JLDIWXBFSA-N -1 3 536.716 7.652 1 0 KKAFHM COc1cc2c3c(c1O)Oc1ccc(cc1)[C@@H]1c4cc(c(OC)cc4CCN1C)Oc1cc(ccc1[O-])C[C@H]3N(C)CC2 ZINC000085491794 560075239 /nfs/dbraw/zinc/07/52/39/560075239.db2.gz PRLJUWXUXSJRDU-UTONBFNKSA-N -1 3 580.681 6.362 1 0 biogenic,in-vitro KKAFHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(OC(F)(F)F)cc4)nc3c2)c1F ZINC000043207322 562647083 /nfs/dbraw/zinc/64/70/83/562647083.db2.gz SJFJIQHFVSHARS-UHFFFAOYSA-N -1 3 555.485 5.206 1 0 KKAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCc4ccccc4)c3Cl)c2n1 ZINC000044031949 562651651 /nfs/dbraw/zinc/65/16/51/562651651.db2.gz WTBRFYVXUYZJFE-UHFFFAOYSA-N -1 3 572.514 5.802 1 0 KKAFHM CN1CCc2cc3c4cc2[C@@H]1Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]1c2c(cc([O-])c(c2O4)O3)CCN1C ZINC000044281214 562653047 /nfs/dbraw/zinc/65/30/47/562653047.db2.gz ZMFKWCVOCDSEST-UIOOFZCWSA-N -1 3 548.639 6.645 1 0 KKAFHM Cc1c(-c2cccc(OCCCC(=O)[O-])c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000044307343 562653974 /nfs/dbraw/zinc/65/39/74/562653974.db2.gz SOUIZGJPJARRHY-SANMLTNESA-N -1 3 599.581 5.135 1 0 KKAFHM Cc1cccc(C(=O)N2c3cccc([O-])c3N=C3CC(C)(C)CS(=O)(=O)C3[C@H]2c2ccc(OCc3ccccc3)cc2F)n1 ZINC000044307929 562654158 /nfs/dbraw/zinc/65/41/58/562654158.db2.gz CLEOWFBQYYBWRR-WJOKGBTCSA-N -1 3 613.711 6.684 1 0 KKAFHM CCCCCc1cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2C=C(C)CC[C@H]21 ZINC000044351061 562654465 /nfs/dbraw/zinc/65/44/65/562654465.db2.gz RIKKBBVWCNNHHE-HTKOZGHBSA-N -1 3 564.851 10.020 1 0 KKAFHM CC(=O)Nc1cccc(-c2cccc3c2S(=O)(=O)N=C3c2nc(Cc3ccc(F)cc3)c3ccccc3c2[O-])c1 ZINC000044387638 562656151 /nfs/dbraw/zinc/65/61/51/562656151.db2.gz PCKCNTWYNUARPJ-UHFFFAOYSA-N -1 3 551.599 5.835 1 0 KKAFHM CN(CCCN(C)Cc1ccc(C(=O)[O-])c(Br)c1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000044431306 562657855 /nfs/dbraw/zinc/65/78/55/562657855.db2.gz PMRBAAVZKVIYBR-UHFFFAOYSA-N -1 3 540.458 5.332 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045188971 562658335 /nfs/dbraw/zinc/65/83/35/562658335.db2.gz BUVIETQCGLYKIH-VWLOTQADSA-N -1 3 511.449 6.156 1 0 KKAFHM CC(C)[C@H](NC(=O)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000045355473 562661836 /nfs/dbraw/zinc/66/18/36/562661836.db2.gz UHVFDARHXGPCNI-RSXGOPAZSA-N -1 3 510.556 6.026 1 0 KKAFHM [O-]c1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2C=Nc2ccc(Cl)cc2)cc1 ZINC000049116565 562664730 /nfs/dbraw/zinc/66/47/30/562664730.db2.gz MKWIWIWLRIKLJP-HONNWAMPSA-N -1 3 503.454 8.663 1 0 KKAFHM CC(C)(C)OC(=O)NCc1ccc([N-]c2nnc(-c3cccc(OCC(=O)NCc4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3)o2)cc1 ZINC000049605733 562666306 /nfs/dbraw/zinc/66/63/06/562666306.db2.gz KBBSHWOWVXCMJW-UHFFFAOYSA-N -1 3 665.591 7.238 1 0 KKAFHM CCCCc1ncc(COC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000049694718 562669710 /nfs/dbraw/zinc/66/97/10/562669710.db2.gz JAFSIHNJRLAXCK-UHFFFAOYSA-N -1 3 634.825 7.708 1 0 KKAFHM CCCCc1ncc(COC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000049694718 562669711 /nfs/dbraw/zinc/66/97/11/562669711.db2.gz JAFSIHNJRLAXCK-UHFFFAOYSA-N -1 3 634.825 7.708 1 0 KKAFHM O=C([O-])[C@@H]1CCCc2c(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cccc21 ZINC000049695484 562670617 /nfs/dbraw/zinc/67/06/17/562670617.db2.gz OHQDOFBGVQTUAB-SSEXGKCCSA-N -1 3 622.127 8.967 1 0 KKAFHM CN(C)CCN1c2ccc(I)cc2C(=O)N([C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1=O ZINC000049776365 562679439 /nfs/dbraw/zinc/67/94/39/562679439.db2.gz CHUHVISKSKMVCI-RPWUZVMVSA-N -1 3 652.316 5.516 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049777358 562679945 /nfs/dbraw/zinc/67/99/45/562679945.db2.gz OCFJDDGWSORTMK-SANMLTNESA-N -1 3 587.425 7.042 1 0 KKAFHM C[C@@H]1CCCN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)C1 ZINC000049853699 562689066 /nfs/dbraw/zinc/68/90/66/562689066.db2.gz RCTCDFOAGDHGEB-GDLZYMKVSA-N -1 3 714.328 7.446 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCc2ccccc21)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000049918183 562694555 /nfs/dbraw/zinc/69/45/55/562694555.db2.gz PFPWUSXQZCTTEI-VMPREFPWSA-N -1 3 558.600 6.613 1 0 KKAFHM CC(C)CCCc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328411 562702814 /nfs/dbraw/zinc/70/28/14/562702814.db2.gz AFGJCCAIMBPTLP-OAHLLOKOSA-N -1 3 503.562 5.010 1 0 KKAFHM CC(C)CCCc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328410 562702841 /nfs/dbraw/zinc/70/28/41/562702841.db2.gz AFGJCCAIMBPTLP-HNNXBMFYSA-N -1 3 503.562 5.010 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)Nc2cccc4ccccc42)O3)cc1 ZINC000066112822 562712098 /nfs/dbraw/zinc/71/20/98/562712098.db2.gz JVTYUFLWHVRRBE-GOFIJKOKSA-N -1 3 630.767 5.333 3 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000066136636 562713256 /nfs/dbraw/zinc/71/32/56/562713256.db2.gz QMWRRMYICQUONI-ULQPQYINSA-N -1 3 627.807 5.435 3 0 KKAFHM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cnc2cc(C(F)(F)F)ccc2c1[O-] ZINC000066167331 562714360 /nfs/dbraw/zinc/71/43/60/562714360.db2.gz RNBNXXNLTWJRBS-UHFFFAOYSA-N -1 3 533.428 6.379 3 0 KKAFHM Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1c[n-]c2cc(C(F)(F)F)ccc2c1=O ZINC000066167331 562714359 /nfs/dbraw/zinc/71/43/59/562714359.db2.gz RNBNXXNLTWJRBS-UHFFFAOYSA-N -1 3 533.428 6.379 3 0 KKAFHM COc1cc(C(=O)NCCN2CCCC2)ccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000068150106 562715811 /nfs/dbraw/zinc/71/58/11/562715811.db2.gz PPEXQGGZFWGXPY-UHFFFAOYSA-N -1 3 632.488 6.440 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C(=O)[O-])c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000071295352 562717172 /nfs/dbraw/zinc/71/71/72/562717172.db2.gz AWDIHUWGWJKUFG-UHFFFAOYSA-N -1 3 630.701 6.056 1 0 KKAFHM Cc1ccc(S(=O)(=O)Oc2cc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C=C3SC(=O)[N-]C3=O)cc2Br)cc1 ZINC000072110045 562721699 /nfs/dbraw/zinc/72/16/99/562721699.db2.gz DOLPIGLTLPYYLX-AFPJDJCSSA-N -1 3 696.441 7.466 1 0 KKAFHM O=C([N-]c1ccn(CCC[NH+](CCCn2ccc([N-]C(=O)OCc3ccccc3)nc2=O)CCc2cc3ccccc3[nH]2)c(=O)n1)OCc1ccccc1 ZINC000072131703 562726755 /nfs/dbraw/zinc/72/67/55/562726755.db2.gz GLASGFXNDDHPAQ-UHFFFAOYSA-N -1 3 730.826 5.804 3 0 KKAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)nc1N(C(C)=O)c1cc(C)cc(C)c1 ZINC000072179196 562732266 /nfs/dbraw/zinc/73/22/66/562732266.db2.gz NHGDPLRJGQMZKA-UHFFFAOYSA-N -1 3 535.608 5.257 1 0 KKAFHM CCOC(=O)c1cn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)nc1N(C(C)=O)c1cc(C)cc(C)c1 ZINC000072179196 562732267 /nfs/dbraw/zinc/73/22/67/562732267.db2.gz NHGDPLRJGQMZKA-UHFFFAOYSA-N -1 3 535.608 5.257 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(OC)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073138866 562733402 /nfs/dbraw/zinc/73/34/02/562733402.db2.gz PDNCVTOLRGBACF-URLMMPGGSA-N -1 3 620.558 7.465 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccsc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073140141 562733551 /nfs/dbraw/zinc/73/35/51/562733551.db2.gz ORQSRWQAMDJMDY-IZZNHLLZSA-N -1 3 596.561 7.518 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC3CC3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073141709 562733692 /nfs/dbraw/zinc/73/36/92/562733692.db2.gz QGSMGBYZDNINDT-DQEYMECFSA-N -1 3 554.499 6.666 1 0 KKAFHM O=C(NCCN1CCCC1)c1ccccc1Oc1ncc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000073168310 562734672 /nfs/dbraw/zinc/73/46/72/562734672.db2.gz PRMHAEAYGNFVPS-UHFFFAOYSA-N -1 3 569.898 5.461 1 0 KKAFHM COc1ccc(NC(=O)[N-]c2nc3cnn(CCCc4ccccc4)c3c3nc(-c4ccco4)nn32)cc1 ZINC000073219352 562736166 /nfs/dbraw/zinc/73/61/66/562736166.db2.gz WITHCVZZZSWRQW-UHFFFAOYSA-N -1 3 508.542 5.019 1 0 KKAFHM Fc1ccc(-c2nn(-c3ccccc3)cc2-c2cc(-c3ccc(Br)cc3)nc(=S)[n-]2)cc1 ZINC000073223071 562736436 /nfs/dbraw/zinc/73/64/36/562736436.db2.gz WMUBPNOIIIJPHY-UHFFFAOYSA-N -1 3 503.400 6.854 1 0 KKAFHM [O-]c1c(Br)ccc2c1-c1ccc(O)cc1CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 ZINC000073295065 562737647 /nfs/dbraw/zinc/73/76/47/562737647.db2.gz AEZFBFLCXJFZPD-UHFFFAOYSA-N -1 3 503.392 6.909 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000082136660 562739014 /nfs/dbraw/zinc/73/90/14/562739014.db2.gz GJOGVNKXCOLNRU-IZLXSDGUSA-N -1 3 658.529 8.475 1 0 KKAFHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000084669377 562747970 /nfs/dbraw/zinc/74/79/70/562747970.db2.gz BYDMEGUVWVMHOK-BYGVMDBSSA-N -1 3 552.071 5.047 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687669 562748970 /nfs/dbraw/zinc/74/89/70/562748970.db2.gz CIUSCLQUSDSXLH-SFTDATJTSA-N -1 3 503.382 5.983 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687666 562748992 /nfs/dbraw/zinc/74/89/92/562748992.db2.gz CIUSCLQUSDSXLH-NHCUHLMSSA-N -1 3 503.382 5.983 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084687665 562749009 /nfs/dbraw/zinc/74/90/09/562749009.db2.gz ROCKDFSXPIQWDD-SFTDATJTSA-N -1 3 519.837 6.498 1 0 KKAFHM COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688299 562749140 /nfs/dbraw/zinc/74/91/40/562749140.db2.gz CEJQMALQGMVVLS-RTWAWAEBSA-N -1 3 536.934 6.349 1 0 KKAFHM COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2cc(Cl)ccc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690027 562749454 /nfs/dbraw/zinc/74/94/54/562749454.db2.gz IIVLCPFWULYALQ-RTWAWAEBSA-N -1 3 503.382 5.983 1 0 KKAFHM COc1ccc(CCC(=O)c2c(O)cc([O-])c3c2O[C@@H](c2ccc(O)cc2)[C@H](C/C=C/c2ccc(O)cc2)C3)cc1 ZINC000085943057 562753451 /nfs/dbraw/zinc/75/34/51/562753451.db2.gz MVIWTYPPWJVLDO-VOYLPPOXSA-N -1 3 552.623 6.729 1 0 KKAFHM COCCOCCOCCOc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C(=O)[O-])c(NC(=O)c4ccc5ccccc5n4)c3)cc1)CC2 ZINC000095548710 562759401 /nfs/dbraw/zinc/75/94/01/562759401.db2.gz KHHAGIQFXVPFTK-UHFFFAOYSA-N -1 3 762.860 6.105 1 0 KKAFHM CC(C)(C)c1ccc(-c2cc(CC(=O)[O-])ccc2[C@@H](c2ccc(F)cc2)N2CCC(C(F)(F)F)CC2)cc1 ZINC000095558758 562762536 /nfs/dbraw/zinc/76/25/36/562762536.db2.gz IXXMHIRUDXQGFN-GDLZYMKVSA-N -1 3 527.602 7.781 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cn2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559219 562762699 /nfs/dbraw/zinc/76/26/99/562762699.db2.gz UQWKHTPMYQJVST-HFJWLAOPSA-N -1 3 500.536 6.916 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560471 562763082 /nfs/dbraw/zinc/76/30/82/562763082.db2.gz DUXONYIBZGWJQJ-WINIVTDRSA-N -1 3 516.003 8.035 1 0 KKAFHM CC(C)C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563563 562764034 /nfs/dbraw/zinc/76/40/34/562764034.db2.gz HSAYCIOPIGXEKQ-WDYNHAJCSA-N -1 3 527.602 8.301 1 0 KKAFHM CC(C)C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563560 562764043 /nfs/dbraw/zinc/76/40/43/562764043.db2.gz HSAYCIOPIGXEKQ-URLMMPGGSA-N -1 3 527.602 8.301 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566476 562764996 /nfs/dbraw/zinc/76/49/96/562764996.db2.gz YLCYRDPZGWCEPF-RDXDNIQESA-N -1 3 631.770 5.646 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095566790 562765267 /nfs/dbraw/zinc/76/52/67/562765267.db2.gz YDGJQJIVZCLABT-ABGITXETSA-N -1 3 641.834 5.744 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566867 562765307 /nfs/dbraw/zinc/76/53/07/562765307.db2.gz JQXCVRFSCSGTFT-WOGZVKCMSA-N -1 3 634.626 5.384 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095567474 562765880 /nfs/dbraw/zinc/76/58/80/562765880.db2.gz YDGJQJIVZCLABT-KAUPTSPVSA-N -1 3 641.834 5.744 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095567601 562765941 /nfs/dbraw/zinc/76/59/41/562765941.db2.gz SYWCYXHAIYXQLV-BCDQWZCSSA-N -1 3 640.124 5.512 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095569260 562767264 /nfs/dbraw/zinc/76/72/64/562767264.db2.gz GQPLODGYDYCVNT-JAOJVIEDSA-N -1 3 650.625 5.084 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569521 562767475 /nfs/dbraw/zinc/76/74/75/562767475.db2.gz UFTUBZJHXRESLK-WEVAMHJFSA-N -1 3 724.723 6.861 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095569930 562767825 /nfs/dbraw/zinc/76/78/25/562767825.db2.gz CBQVGICLIDWTFD-RLCGNTSFSA-N -1 3 620.599 5.075 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095570391 562768170 /nfs/dbraw/zinc/76/81/70/562768170.db2.gz MLNWPGCJBNVZPL-IKTKBOKFSA-N -1 3 706.265 5.327 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095571554 562769102 /nfs/dbraw/zinc/76/91/02/562769102.db2.gz RKFPRZNLXVJUNG-PDTNBVABSA-N -1 3 627.807 5.815 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095575823 562770474 /nfs/dbraw/zinc/77/04/74/562770474.db2.gz XPLZDDGRPJSUET-KRWDZBQOSA-N -1 3 631.693 5.090 1 0 KKAFHM COc1cccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)n1 ZINC000095578677 562771332 /nfs/dbraw/zinc/77/13/32/562771332.db2.gz OEMOTOSZLUAGSH-QGOAFFKASA-N -1 3 635.765 5.837 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Nc2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095579744 562771644 /nfs/dbraw/zinc/77/16/44/562771644.db2.gz BUVANZDKPMKOJE-GOSISDBHSA-N -1 3 593.647 5.112 1 0 KKAFHM CCc1nc2ccn(Cc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095580780 562771897 /nfs/dbraw/zinc/77/18/97/562771897.db2.gz QAYQVTMHUMLSNG-MHZLTWQESA-N -1 3 513.605 5.191 1 0 in-vitro KKAFHM CCc1nc2ccn(Cc3ccccc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095580780 562771898 /nfs/dbraw/zinc/77/18/98/562771898.db2.gz QAYQVTMHUMLSNG-MHZLTWQESA-N -1 3 513.605 5.191 1 0 in-vitro KKAFHM CCc1nc2ccn(Cc3ccccc3F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095585842 562773759 /nfs/dbraw/zinc/77/37/59/562773759.db2.gz BBYUTVUIMAGYDW-MHZLTWQESA-N -1 3 531.595 5.331 1 0 KKAFHM CCc1nc2ccn(Cc3ccccc3F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095585842 562773760 /nfs/dbraw/zinc/77/37/60/562773760.db2.gz BBYUTVUIMAGYDW-MHZLTWQESA-N -1 3 531.595 5.331 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095598893 562777624 /nfs/dbraw/zinc/77/76/24/562777624.db2.gz ZBBNPLMVFVREHD-PQKZQXQFSA-N -1 3 719.867 6.742 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095598900 562777647 /nfs/dbraw/zinc/77/76/47/562777647.db2.gz LGFCYAUQAJYOOY-RXDUGQIKSA-N -1 3 711.869 6.495 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599305 562777924 /nfs/dbraw/zinc/77/79/24/562777924.db2.gz QMCFBRPLMVFDBX-DLVGFNCXSA-N -1 3 740.285 7.087 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095599304 562777969 /nfs/dbraw/zinc/77/79/69/562777969.db2.gz PUFXGQMHTBNSDI-ZUDLYUOYSA-N -1 3 698.858 5.894 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599792 562778332 /nfs/dbraw/zinc/77/83/32/562778332.db2.gz UQRVVYXDOOLUAO-DLVGFNCXSA-N -1 3 723.830 6.573 1 0 KKAFHM O=C(C[C@H]1C[C@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095599941 562778542 /nfs/dbraw/zinc/77/85/42/562778542.db2.gz BHEWHBNGLCOXBN-VNUFNPPTSA-N -1 3 618.683 5.120 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600064 562778570 /nfs/dbraw/zinc/77/85/70/562778570.db2.gz ORTMWWQHMCADOR-ZXRNXFTDSA-N -1 3 741.178 7.375 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600353 562778810 /nfs/dbraw/zinc/77/88/10/562778810.db2.gz LFZLAWVTNRSJHJ-MGXQNUJRSA-N -1 3 735.866 6.442 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600553 562779046 /nfs/dbraw/zinc/77/90/46/562779046.db2.gz LTBMLRZREJTXIR-GMERYBDXSA-N -1 3 736.353 5.565 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602327 562779972 /nfs/dbraw/zinc/77/99/72/562779972.db2.gz UQRVVYXDOOLUAO-GJWZSCNASA-N -1 3 723.830 6.573 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095603375 562780517 /nfs/dbraw/zinc/78/05/17/562780517.db2.gz ISGWUMSRLISZDA-JALBGMRZSA-N -1 3 720.760 7.030 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095604367 562780980 /nfs/dbraw/zinc/78/09/80/562780980.db2.gz ZBBNPLMVFVREHD-OCJGHMAWSA-N -1 3 719.867 6.742 1 0 KKAFHM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCN6CCCC6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 ZINC000095604768 562781140 /nfs/dbraw/zinc/78/11/40/562781140.db2.gz NNCLXTPCKMVLBQ-RRLKWQEHSA-N -1 3 581.882 8.270 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604846 562781237 /nfs/dbraw/zinc/78/12/37/562781237.db2.gz UIKXZKCHSBRXDR-FBTROWELSA-N -1 3 705.840 6.434 1 0 KKAFHM COc1ccc([C@]2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(C(=O)[O-])cc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000095608113 562783357 /nfs/dbraw/zinc/78/33/57/562783357.db2.gz SGSDMASCYPMWHE-WBVITSLISA-N -1 3 790.914 6.595 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2C1=O ZINC000095818870 562789203 /nfs/dbraw/zinc/78/92/03/562789203.db2.gz JZVWZWTWHMLRBS-ZJODMUEWSA-N -1 3 710.872 7.110 1 0 KKAFHM COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095834667 562789410 /nfs/dbraw/zinc/78/94/10/562789410.db2.gz URUYPBZFUNKRKA-IXTDCBFRSA-N -1 3 673.898 5.485 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)Oc2ccc(NC(=O)Nc3cccc4ccccc43)cc2CC1=O ZINC000095836623 562789464 /nfs/dbraw/zinc/78/94/64/562789464.db2.gz DAFHMMKKDPTQSK-LOTJKCTMSA-N -1 3 624.738 5.463 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095847234 562789481 /nfs/dbraw/zinc/78/94/81/562789481.db2.gz AZOGTZJHFHJISV-ZJDJHBDQSA-N -1 3 629.779 5.632 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286082 562795985 /nfs/dbraw/zinc/79/59/85/562795985.db2.gz CMGKRLSKYRYWCJ-ZDUSSCGKSA-N -1 3 519.586 5.066 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccccc1Cl)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286062 562795997 /nfs/dbraw/zinc/79/59/97/562795997.db2.gz SRIVBTPJBMJUTC-AWEZNQCLSA-N -1 3 576.037 5.977 1 0 KKAFHM COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)ccc(Cl)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910305 562799949 /nfs/dbraw/zinc/79/99/49/562799949.db2.gz HOPUSIIUUHTCFR-YDEDJSSYSA-N -1 3 545.026 5.958 1 0 KKAFHM O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000096928956 562803002 /nfs/dbraw/zinc/80/30/02/562803002.db2.gz GWZZJYIQYXDWSH-QQJAHVSNSA-N -1 3 752.871 7.764 1 0 KKAFHM CCCCc1nc2cc(NCc3ccccc3)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000098082886 562805347 /nfs/dbraw/zinc/80/53/47/562805347.db2.gz IKMRAZVDXOOWDM-UHFFFAOYSA-N -1 3 513.649 6.886 1 0 KKAFHM CCCCc1nc2cc(NCc3ccccc3)ccc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000098082886 562805348 /nfs/dbraw/zinc/80/53/48/562805348.db2.gz IKMRAZVDXOOWDM-UHFFFAOYSA-N -1 3 513.649 6.886 1 0 KKAFHM CC[C@@H](Nc1c(=O)c(=O)c1Nc1cccc(C(=O)N(C)C)c1[O-])c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000101133847 562809410 /nfs/dbraw/zinc/80/94/10/562809410.db2.gz GRJCOLYMBSAOPI-QGZVFWFLSA-N -1 3 527.499 5.276 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103254017 562820642 /nfs/dbraw/zinc/82/06/42/562820642.db2.gz YXQHJKFKRZDXHV-KDAVHTTKSA-N -1 3 620.530 6.290 1 0 KKAFHM Cc1ccc(C[C@H](CCCSc2ccc(C[NH2+]CCCP(=O)([O-])[O-])cc2)c2cc(F)cc(F)c2)cc1C ZINC000103256042 562820786 /nfs/dbraw/zinc/82/07/86/562820786.db2.gz RTLDMXLBQDYSBI-VWLOTQADSA-N -1 3 547.648 7.138 1 0 KKAFHM Cc1ccc(C[C@H](CCCSc2ccc(C[NH2+]CCCP(=O)([O-])[O-])cc2)c2cccc(Cl)c2)cc1C ZINC000103256038 562820810 /nfs/dbraw/zinc/82/08/10/562820810.db2.gz HPFWBDIEYOHZTC-SANMLTNESA-N -1 3 546.113 7.513 1 0 KKAFHM Cn1c(C(=O)[O-])cc2cc(NC(=O)[C@@]3(NC(=O)c4ccc5c(c4)nc(-c4ccoc4)n5C4CCCCC4)CCCNC3)ccc21 ZINC000103268720 562822692 /nfs/dbraw/zinc/82/26/92/562822692.db2.gz TZTAVYPNRLLZNN-UUWRZZSWSA-N -1 3 608.699 5.482 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cccc(CCN2CCCC2)c1 ZINC000114035097 562826948 /nfs/dbraw/zinc/82/69/48/562826948.db2.gz ZVQXPNGSBHSILC-UHFFFAOYSA-N -1 3 520.460 7.499 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1cncc(CCN2CCCC2)c1 ZINC000114034142 562826965 /nfs/dbraw/zinc/82/69/65/562826965.db2.gz KNHCAYUAOOHYLU-UHFFFAOYSA-N -1 3 504.993 6.379 1 0 KKAFHM CN(C)CCc1cccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)c1 ZINC000114038198 562827264 /nfs/dbraw/zinc/82/72/64/562827264.db2.gz YKIWOPZLJKEOKV-UHFFFAOYSA-N -1 3 504.005 6.840 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N1CCN(CCN2CCCC2)CC1)C1CC1 ZINC000114038955 562827359 /nfs/dbraw/zinc/82/73/59/562827359.db2.gz RZLIDOFAGKVVMP-UHFFFAOYSA-N -1 3 523.052 5.210 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])c(F)c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114357338 562828148 /nfs/dbraw/zinc/82/81/48/562828148.db2.gz RJCFKKBIOUMUTB-UHFFFAOYSA-N -1 3 566.601 6.119 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](Cc2ccc(F)cc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138692948 562832112 /nfs/dbraw/zinc/83/21/12/562832112.db2.gz FIWQIGJCMOFUBK-HSZRJFAPSA-N -1 3 610.649 5.629 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](c2cccc(F)c2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138792167 562832183 /nfs/dbraw/zinc/83/21/83/562832183.db2.gz ZEAZUKHHCGIWEL-VWLOTQADSA-N -1 3 596.622 5.435 1 0 KKAFHM CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1ccc(F)cc1)c(F)cc2[O-] ZINC000143136005 562834681 /nfs/dbraw/zinc/83/46/81/562834681.db2.gz IIIAPLOLHURDHE-UHFFFAOYSA-N -1 3 569.530 8.309 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)ccc4-c4ccc(F)nc4)CC3)OC2=O)cc1 ZINC000144587196 562836473 /nfs/dbraw/zinc/83/64/73/562836473.db2.gz XUOUZIPOSAVOQX-UHFFFAOYSA-N -1 3 529.490 5.596 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144559154 562836482 /nfs/dbraw/zinc/83/64/82/562836482.db2.gz GUIAMIMMTBZJDF-UHFFFAOYSA-N -1 3 554.565 6.168 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145256396 562836961 /nfs/dbraw/zinc/83/69/61/562836961.db2.gz AIQNUCNHLLCWSW-QGZVFWFLSA-N -1 3 529.600 5.406 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145671138 562837443 /nfs/dbraw/zinc/83/74/43/562837443.db2.gz WVMIAHSJCZIZEJ-AWEZNQCLSA-N -1 3 501.546 5.079 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145685742 562837452 /nfs/dbraw/zinc/83/74/52/562837452.db2.gz WMQSELOGNNSWDT-GOSISDBHSA-N -1 3 595.634 6.159 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1C[C@H](C)C[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145947402 562837762 /nfs/dbraw/zinc/83/77/62/562837762.db2.gz SIZPLSFHUZQYRB-BZUAXINKSA-N -1 3 545.599 5.234 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1OCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146348372 562838473 /nfs/dbraw/zinc/83/84/73/562838473.db2.gz PIWZRMSKHHJFKX-INIZCTEOSA-N -1 3 524.536 5.215 1 0 KKAFHM COc1ccc(Br)c(C(=O)[N-]N2C(=O)CS[C@@H]2C2=C(Cl)c3ccccc3[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000150578461 562845415 /nfs/dbraw/zinc/84/54/15/562845415.db2.gz FDOQNEKCGTVVCN-DNOBIOAJSA-N -1 3 638.798 7.497 1 0 KKAFHM Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4cc(Br)ccc4[O-])S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150590726 562846147 /nfs/dbraw/zinc/84/61/47/562846147.db2.gz NASRTULLZJHRMO-QYAVWEKSSA-N -1 3 731.628 7.495 1 0 KKAFHM CCOc1nc2cccc(NC(=O)c3ccc(Cl)cc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324758 562857430 /nfs/dbraw/zinc/85/74/30/562857430.db2.gz OVSNBMKTBUBBNK-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(NC(=O)c3ccc(Cl)cc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324758 562857431 /nfs/dbraw/zinc/85/74/31/562857431.db2.gz OVSNBMKTBUBBNK-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM COc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc1 ZINC000169339685 562860432 /nfs/dbraw/zinc/86/04/32/562860432.db2.gz DDGCSEDJJMEAGR-HKBQPEDESA-N -1 3 583.714 5.305 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=O)NCc4ccccc4)cc3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000169339697 562860441 /nfs/dbraw/zinc/86/04/41/562860441.db2.gz QUNBYKXVWXBLOR-PMERELPUSA-N -1 3 588.133 5.950 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc(-c2nc3ccccc3c(NCc3ccc(-c4ccnc(C(F)(F)F)c4)cc3)n2)cc1 ZINC000169340455 562860611 /nfs/dbraw/zinc/86/06/11/562860611.db2.gz AFPIAAOACZFUQX-UHFFFAOYSA-N -1 3 549.578 6.361 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696078 562865896 /nfs/dbraw/zinc/86/58/96/562865896.db2.gz KPEGKBZAPGWVBV-UIOOFZCWSA-N -1 3 502.636 5.314 1 0 KKAFHM CC(C)CC(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1N1CCOCC1 ZINC000169696193 562865922 /nfs/dbraw/zinc/86/59/22/562865922.db2.gz IWRZFDVRNKFXFJ-KAYWLYCHSA-N -1 3 502.636 5.140 1 0 KKAFHM COCCOc1ncccc1[C@@H]1C(C(=O)CC(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696274 562865926 /nfs/dbraw/zinc/86/59/26/562865926.db2.gz GGEJOOVCJBQBPQ-DNQXCXABSA-N -1 3 506.624 5.114 1 0 KKAFHM COCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696144 562865932 /nfs/dbraw/zinc/86/59/32/562865932.db2.gz SNBJCOWKKNKKJK-IZZNHLLZSA-N -1 3 506.624 5.032 1 0 KKAFHM CCOC(=O)C(C)(C)C([O-])=C1C(=O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@@H]1c1ccccc1OC ZINC000169696297 562865951 /nfs/dbraw/zinc/86/59/51/562865951.db2.gz YKGYDTALUZSYBL-BJKOFHAPSA-N -1 3 519.619 5.164 1 0 KKAFHM CCOC(=O)C(C)(C)C(=O)C1=C([O-])C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@@H]1c1ccccc1OC ZINC000169696297 562865952 /nfs/dbraw/zinc/86/59/52/562865952.db2.gz YKGYDTALUZSYBL-BJKOFHAPSA-N -1 3 519.619 5.164 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000169696509 562866104 /nfs/dbraw/zinc/86/61/04/562866104.db2.gz TZIMETHCTSAIIS-IZLXSDGUSA-N -1 3 528.674 5.387 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000169696512 562866106 /nfs/dbraw/zinc/86/61/06/562866106.db2.gz TZIMETHCTSAIIS-WUFINQPMSA-N -1 3 528.674 5.387 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)N3CCCC3)cc2)s1 ZINC000169696709 562866258 /nfs/dbraw/zinc/86/62/58/562866258.db2.gz DSIOEIMIAFCEJY-AHKZPQOWSA-N -1 3 529.662 5.243 1 0 KKAFHM CCN(C)C(=O)c1ncccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696691 562866268 /nfs/dbraw/zinc/86/62/68/562866268.db2.gz DNVBOEMCMAUILF-AOYPEHQESA-N -1 3 517.651 5.099 1 0 KKAFHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cnc(Oc3ccc4c(c3)CC[C@H](c3ccccc3)O4)s2)s1 ZINC000169710585 562870693 /nfs/dbraw/zinc/87/06/93/562870693.db2.gz SGCMMYJRAXKJAS-OAQYLSRUSA-N -1 3 513.666 5.554 1 0 KKAFHM Cc1nc(C)c(S(=O)(=O)[N-]Cc2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)s1 ZINC000169710584 562870702 /nfs/dbraw/zinc/87/07/02/562870702.db2.gz SGCMMYJRAXKJAS-NRFANRHFSA-N -1 3 513.666 5.554 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202735621 562873926 /nfs/dbraw/zinc/87/39/26/562873926.db2.gz VOYNOXORQINFJI-DNQXCXABSA-N -1 3 549.114 5.146 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(CN2CCCC2)cc1 ZINC000203803175 562874207 /nfs/dbraw/zinc/87/42/07/562874207.db2.gz DUMWTVRMBFDWAP-UHFFFAOYSA-N -1 3 506.433 7.456 1 0 KKAFHM CN1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(F)c5)cc43)cn2)CC1 ZINC000203988916 562874278 /nfs/dbraw/zinc/87/42/78/562874278.db2.gz UXRGWKIILXKLLI-UHFFFAOYSA-N -1 3 515.564 5.369 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cccc(CCN2CCN(C)CC2)c1 ZINC000219354461 562878083 /nfs/dbraw/zinc/87/80/83/562878083.db2.gz ZBMPRHWYMQSLHR-UHFFFAOYSA-N -1 3 549.502 6.650 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1-c1ccc(CN2CCCC2)cc1)C1CC1 ZINC000219358507 562878114 /nfs/dbraw/zinc/87/81/14/562878114.db2.gz QQDJCVSGOIKVID-UHFFFAOYSA-N -1 3 517.456 7.770 1 0 KKAFHM CN1c2ccccc2C(c2ccccc2)=N[C@H](NCC(=O)Nc2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@H]2[N-]S(=O)(=O)c2ccc(Cl)s2)C1=O ZINC000220394750 562878420 /nfs/dbraw/zinc/87/84/20/562878420.db2.gz XHGAAJULAOSPBL-HSKHJRONSA-N -1 3 688.275 5.242 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@@H](C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299831424 562885554 /nfs/dbraw/zinc/88/55/54/562885554.db2.gz BRNKHWSYACFKQC-OXQOHEQNSA-N -1 3 555.638 6.261 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834622 562886479 /nfs/dbraw/zinc/88/64/79/562886479.db2.gz RNWBHMUNVIJXRO-HNNXBMFYSA-N -1 3 527.584 5.624 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834917 562886662 /nfs/dbraw/zinc/88/66/62/562886662.db2.gz WACMEXRQSXAUTA-ZRZPHAQCSA-N -1 3 557.654 6.351 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(Br)cn4cc(-c5ccc6ccccc6c5)nc34)cc2)cc1 ZINC000299837014 562887373 /nfs/dbraw/zinc/88/73/73/562887373.db2.gz OZEWLHWEMYBBRM-UHFFFAOYSA-N -1 3 584.499 7.165 1 0 KKAFHM COc1cc(/C=C/c2nnc([N-]C(=O)c3cc(OC)c(OC)c(OC)c3Br)s2)c(Br)c(OC)c1OC ZINC000299838701 562887922 /nfs/dbraw/zinc/88/79/22/562887922.db2.gz NIJZSCLDZCHFIV-BQYQJAHWSA-N -1 3 645.326 5.537 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@H](Cc2ccccc2)C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)cc1F ZINC000299850918 562890691 /nfs/dbraw/zinc/89/06/91/562890691.db2.gz CWNBTLIHJLPQLF-QHCPKHFHSA-N -1 3 609.711 6.679 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3F)cc1)CC2 ZINC000473137225 562901166 /nfs/dbraw/zinc/90/11/66/562901166.db2.gz WZJWSCXKTIBYJR-UHFFFAOYSA-N -1 3 589.689 5.497 1 0 KKAFHM CCOc1ccc2[nH]c(=NCCCCOc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3)sc2c1 ZINC000473154320 562902102 /nfs/dbraw/zinc/90/21/02/562902102.db2.gz GFEFEHXJNMIHBR-UHFFFAOYSA-N -1 3 502.592 5.867 1 0 KKAFHM CC(=O)Nc1ccc2[nH]c(=NCCCCOc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3)sc2c1 ZINC000473154401 562902181 /nfs/dbraw/zinc/90/21/81/562902181.db2.gz HBQGVLCGTUNOPZ-UHFFFAOYSA-N -1 3 515.591 5.427 1 0 KKAFHM O=c1cc(-c2ccccc2)oc2cc(OCCCCN=c3[nH]c4ccc(I)cc4s3)cc([O-])c12 ZINC000473157248 562902510 /nfs/dbraw/zinc/90/25/10/562902510.db2.gz UPZUGMOIVOCUIN-UHFFFAOYSA-N -1 3 584.435 6.073 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CCN(C)CC2)CC1 ZINC000473164979 562902885 /nfs/dbraw/zinc/90/28/85/562902885.db2.gz KDIZAFIVAVMWEY-KESTWPANSA-N -1 3 542.511 5.152 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1ccc(CN2CCCC2)cc1 ZINC000473165323 562902937 /nfs/dbraw/zinc/90/29/37/562902937.db2.gz XPMNOLGQYXKBRX-UHFFFAOYSA-N -1 3 507.421 6.273 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)nc2c1Nc1cccc(CCN2CCCC2)c1 ZINC000473213504 562903867 /nfs/dbraw/zinc/90/38/67/562903867.db2.gz UOWFDBQRXSPVDF-UHFFFAOYSA-N -1 3 504.993 5.801 1 0 KKAFHM O=C([O-])[C@H]1CC[C@H](CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(F)c2)[C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000473244391 562904811 /nfs/dbraw/zinc/90/48/11/562904811.db2.gz JSMBJMKJKHRGQN-GCOVDLRRSA-N -1 3 575.052 5.527 1 0 KKAFHM COc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000653697118 562907095 /nfs/dbraw/zinc/90/70/95/562907095.db2.gz PYNPATCHJQZVPM-LJQANCHMSA-N -1 3 712.719 5.574 1 0 KKAFHM COC(=O)[C@H](Cc1ccccc1)N[P@](=O)(Oc1ccccc1)Oc1ccc2c(c1)occ(-c1ccc([O-])cc1)c2=O ZINC000653708984 562908033 /nfs/dbraw/zinc/90/80/33/562908033.db2.gz BDULWNJOIGGTOT-VELXTTODSA-N -1 3 571.522 6.105 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCN3CCCCC3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653751516 562910690 /nfs/dbraw/zinc/91/06/90/562910690.db2.gz FWWUCWDEWCUKCM-UHFFFAOYSA-N -1 3 668.864 6.634 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@H](CO)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653763578 562911506 /nfs/dbraw/zinc/91/15/06/562911506.db2.gz VWNGTTNKRUNTFF-GDLZYMKVSA-N -1 3 571.685 5.656 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@H](CO)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653763578 562911507 /nfs/dbraw/zinc/91/15/07/562911507.db2.gz VWNGTTNKRUNTFF-GDLZYMKVSA-N -1 3 571.685 5.656 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653763507 562911515 /nfs/dbraw/zinc/91/15/15/562911515.db2.gz JBQLJPNVSMAEBZ-QHCPKHFHSA-N -1 3 555.686 6.684 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653763507 562911516 /nfs/dbraw/zinc/91/15/16/562911516.db2.gz JBQLJPNVSMAEBZ-QHCPKHFHSA-N -1 3 555.686 6.684 1 0 KKAFHM Cc1cc(C(=O)N(Cc2ccsc2)c2ccc(C(=O)N(C)Cc3ccc4nccnc4c3)cc2)c([O-])cc1O ZINC000653768463 562911740 /nfs/dbraw/zinc/91/17/40/562911740.db2.gz OGYXPABYKBFOIQ-UHFFFAOYSA-N -1 3 538.629 5.530 1 0 KKAFHM Nc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)[N-]Cc4ncccn4)cc3F)cc12 ZINC000653883012 562916915 /nfs/dbraw/zinc/91/69/15/562916915.db2.gz FRZLOSUDVPJWFX-UHFFFAOYSA-N -1 3 543.939 5.069 1 0 KKAFHM COc1cc(CCC(=O)C([O-])=C(O)CCCCCCC2CCCCC2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631481 565164493 /nfs/dbraw/zinc/16/44/93/565164493.db2.gz COCNRBJYZGTWQX-VSCQPYOZSA-N -1 3 656.844 6.225 1 0 biogenic,in-vitro KKAFHM COc1cc(CCC(O)=C([O-])C(=O)CCCCCCC2CCCCC2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631481 565164496 /nfs/dbraw/zinc/16/44/96/565164496.db2.gz COCNRBJYZGTWQX-VSCQPYOZSA-N -1 3 656.844 6.225 1 0 biogenic,in-vitro KKAFHM Cc1oc(=O)oc1COC(=O)c1c2ccccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001483522 561675844 /nfs/dbraw/zinc/67/58/44/561675844.db2.gz IZQCLVVNYNAYBS-UHFFFAOYSA-N -1 3 561.554 5.963 1 0 KKAFHM Cc1oc(=O)oc1COC(=O)c1c2ccccc2nc(C2CC2)c1Oc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001483522 561675846 /nfs/dbraw/zinc/67/58/46/561675846.db2.gz IZQCLVVNYNAYBS-UHFFFAOYSA-N -1 3 561.554 5.963 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)CC1(CCN(CCc3cccc4ccccc43)CC1)O2 ZINC000001486418 561675969 /nfs/dbraw/zinc/67/59/69/561675969.db2.gz KVIRFFFBTUTUIZ-UHFFFAOYSA-N -1 3 545.661 5.288 1 0 KKAFHM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@@H](c4nnn[n-]4)C3)ncn2)cc1C(F)(F)F ZINC000001551496 561677579 /nfs/dbraw/zinc/67/75/79/561677579.db2.gz JLATZOOYNDMRMO-GOSISDBHSA-N -1 3 525.604 6.334 1 0 KKAFHM CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC[C@@H](c4nn[n-]n4)C3)ncn2)cc1C(F)(F)F ZINC000001551496 561677580 /nfs/dbraw/zinc/67/75/80/561677580.db2.gz JLATZOOYNDMRMO-GOSISDBHSA-N -1 3 525.604 6.334 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)N(CC)CC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003938023 561688710 /nfs/dbraw/zinc/68/87/10/561688710.db2.gz LCKGAPBQWRRWRL-YTTGMZPUSA-N -1 3 614.754 5.894 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)N(CC)CC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003938023 561688713 /nfs/dbraw/zinc/68/87/13/561688713.db2.gz LCKGAPBQWRRWRL-YTTGMZPUSA-N -1 3 614.754 5.894 1 0 KKAFHM COc1cc([C@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455705 561713593 /nfs/dbraw/zinc/71/35/93/561713593.db2.gz UBOQJBBPZXYJQV-OAQYLSRUSA-N -1 3 509.662 6.846 1 0 KKAFHM CN(C)c1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013493110 561716624 /nfs/dbraw/zinc/71/66/24/561716624.db2.gz FIEUMTSYLULJML-LJAQVGFWSA-N -1 3 519.557 5.328 1 0 KKAFHM CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000013646599 561722704 /nfs/dbraw/zinc/72/27/04/561722704.db2.gz HUIRYPIBXDIZJQ-OAQYLSRUSA-N -1 3 536.116 6.508 1 0 KKAFHM CCCCc1nc(-n2cccc2)c(C(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832353 561733482 /nfs/dbraw/zinc/73/34/82/561733482.db2.gz PFGPQXJWHZGLQH-UHFFFAOYSA-N -1 3 527.632 6.143 1 0 KKAFHM CCCCc1nc(-n2cccc2)c(C(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832353 561733484 /nfs/dbraw/zinc/73/34/84/561733484.db2.gz PFGPQXJWHZGLQH-UHFFFAOYSA-N -1 3 527.632 6.143 1 0 KKAFHM C[C@H](OC[C@@H](c1ccccc1)N1CCN(CC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022927014 561759847 /nfs/dbraw/zinc/75/98/47/561759847.db2.gz WOLHPOWZBHRGTD-KKSFZXQISA-N -1 3 504.471 5.245 1 0 KKAFHM Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@@H](CN(C)CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000025964452 561763022 /nfs/dbraw/zinc/76/30/22/561763022.db2.gz DKTFEUJGLCUSHM-IOGUJBTOSA-N -1 3 586.754 6.780 1 0 KKAFHM CCCCN(C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1)c1ccccc1 ZINC000025994396 561765009 /nfs/dbraw/zinc/76/50/09/561765009.db2.gz DFQYXTXEDKPKTC-JPHFWNGBSA-N -1 3 530.621 5.099 1 0 KKAFHM CCCCN(Cc1ccccc1)C(=O)c1ccc(COC(=O)c2c(CC)nc(CCC)n2Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000026286184 561779789 /nfs/dbraw/zinc/77/97/89/561779789.db2.gz XYDYLGJCXRWTMO-UHFFFAOYSA-N -1 3 695.868 8.093 1 0 KKAFHM CCCCN(Cc1ccccc1)C(=O)c1ccc(COC(=O)c2c(CC)nc(CCC)n2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000026286184 561779790 /nfs/dbraw/zinc/77/97/90/561779790.db2.gz XYDYLGJCXRWTMO-UHFFFAOYSA-N -1 3 695.868 8.093 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2cccc(C(=O)c3ccccc3)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026375830 561781855 /nfs/dbraw/zinc/78/18/55/561781855.db2.gz QMBGDORPEDAOLK-UHFFFAOYSA-N -1 3 610.718 6.881 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2cccc(C(=O)c3ccccc3)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026375830 561781858 /nfs/dbraw/zinc/78/18/58/561781858.db2.gz QMBGDORPEDAOLK-UHFFFAOYSA-N -1 3 610.718 6.881 1 0 KKAFHM O=CN([O-])[C@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000026387869 561784975 /nfs/dbraw/zinc/78/49/75/561784975.db2.gz ANRXCWSBJHOAED-OAQYLSRUSA-N -1 3 549.445 5.759 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)OC3CCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026399407 561787893 /nfs/dbraw/zinc/78/78/93/561787893.db2.gz GTHHJEQHYSTNGB-UHFFFAOYSA-N -1 3 582.617 5.541 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)OC3CCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026399407 561787895 /nfs/dbraw/zinc/78/78/95/561787895.db2.gz GTHHJEQHYSTNGB-UHFFFAOYSA-N -1 3 582.617 5.541 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC(CC)CC)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026400400 561788185 /nfs/dbraw/zinc/78/81/85/561788185.db2.gz WVGSXUNLHNNCAH-HXUWFJFHSA-N -1 3 598.660 6.175 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC(CC)CC)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026400400 561788186 /nfs/dbraw/zinc/78/81/86/561788186.db2.gz WVGSXUNLHNNCAH-HXUWFJFHSA-N -1 3 598.660 6.175 1 0 KKAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(NCc3ccncc3)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026403045 561788921 /nfs/dbraw/zinc/78/89/21/561788921.db2.gz IXIFGJYOXXAMLC-CZSVHLHGSA-N -1 3 614.486 5.092 1 0 KKAFHM O=S(=O)([N-]CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1cc(Br)c(Br)s1 ZINC000026578377 561803252 /nfs/dbraw/zinc/80/32/52/561803252.db2.gz OIUFCVLTTOUMIZ-UHFFFAOYSA-N -1 3 665.905 5.263 1 0 KKAFHM CCCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579300 561804477 /nfs/dbraw/zinc/80/44/77/561804477.db2.gz OIHSATBFUDNTBQ-YTTGMZPUSA-N -1 3 615.738 6.367 1 0 KKAFHM CCCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579300 561804478 /nfs/dbraw/zinc/80/44/78/561804478.db2.gz OIHSATBFUDNTBQ-YTTGMZPUSA-N -1 3 615.738 6.367 1 0 KKAFHM COc1cc(OC)c2c([O-])c(-c3cc(-c4ccc5c(c4)OCO5)c4cc(OC)cc(OC)c4c3O)cc(-c3ccc4c(c3)OCO4)c2c1 ZINC000026639891 561806421 /nfs/dbraw/zinc/80/64/21/561806421.db2.gz KHNMXOQPMIJXOV-UHFFFAOYSA-N -1 3 646.648 7.897 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)N(C)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026644078 561807183 /nfs/dbraw/zinc/80/71/83/561807183.db2.gz PNFCUMROWMPBEJ-PGUFJCEWSA-N -1 3 648.771 6.688 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)N(C)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026644078 561807184 /nfs/dbraw/zinc/80/71/84/561807184.db2.gz PNFCUMROWMPBEJ-PGUFJCEWSA-N -1 3 648.771 6.688 1 0 KKAFHM COc1cc(C)cc2c(-c3cccc(N)c3)cc(-c3cc(-c4cccc(N)c4)c4cc(C)cc(OC)c4c3O)c([O-])c12 ZINC000026645288 561807403 /nfs/dbraw/zinc/80/74/03/561807403.db2.gz LBJBDWUFFWCVMK-UHFFFAOYSA-N -1 3 556.662 8.204 1 0 KKAFHM COc1cc(OC)c2c([O-])c(-c3cc(-c4cccc(N)c4)c4cc(OC)cc(OC)c4c3O)cc(-c3cccc(N)c3)c2c1 ZINC000026647977 561807840 /nfs/dbraw/zinc/80/78/40/561807840.db2.gz FMTXMDVTORJSSO-UHFFFAOYSA-N -1 3 588.660 7.604 1 0 KKAFHM CCCCc1nn(-c2cccc(Cl)c2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026651705 561808404 /nfs/dbraw/zinc/80/84/04/561808404.db2.gz OQFCGMYXNSPJFQ-UHFFFAOYSA-N -1 3 541.055 6.483 1 0 KKAFHM CCCCc1nn(-c2cccc(Cl)c2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026651705 561808406 /nfs/dbraw/zinc/80/84/06/561808406.db2.gz OQFCGMYXNSPJFQ-UHFFFAOYSA-N -1 3 541.055 6.483 1 0 KKAFHM CCOC(=O)[C@@H]1[N-]c2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(Oc2ccccc2)c1 ZINC000026652912 561808794 /nfs/dbraw/zinc/80/87/94/561808794.db2.gz ZVHOHJWIMLQFHI-JOCHJYFZSA-N -1 3 507.395 5.291 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2CCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nnn[n-]2)c3S1 ZINC000026667954 561811628 /nfs/dbraw/zinc/81/16/28/561811628.db2.gz HBQPFEZZFCYPNX-XMMPIXPASA-N -1 3 633.265 8.551 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2CCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nn[n-]n2)c3S1 ZINC000026667954 561811630 /nfs/dbraw/zinc/81/16/30/561811630.db2.gz HBQPFEZZFCYPNX-XMMPIXPASA-N -1 3 633.265 8.551 1 0 KKAFHM CC(C)c1cc(C(C)C)c([N-]S(=O)(=O)CC(=O)Oc2c(C(C)C)cccc2C(C)C)c(C(C)C)c1 ZINC000026743109 561818362 /nfs/dbraw/zinc/81/83/62/561818362.db2.gz DJIYHKZCWFHXON-UHFFFAOYSA-N -1 3 501.733 7.651 1 0 KKAFHM CC(C)c1cc(C(C)C)c(CC(=O)[N-][P@](=O)(Oc2c(C(C)C)cccc2C(C)C)c2ccccc2)c(C(C)C)c1 ZINC000026815617 561820137 /nfs/dbraw/zinc/82/01/37/561820137.db2.gz GTTOIVPYJFQSGB-RRHRGVEJSA-N -1 3 561.747 9.560 1 0 KKAFHM CCc1cccc(CC)c1NC(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CCOC)cc1 ZINC000027196293 561844410 /nfs/dbraw/zinc/84/44/10/561844410.db2.gz FGUXLHMMTIYRQF-FUKIBTTHSA-N -1 3 558.675 5.209 1 0 KKAFHM O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)Cc2[n-]c3c(Br)cc(Br)cc3c(=O)c21 ZINC000027083468 561835636 /nfs/dbraw/zinc/83/56/36/561835636.db2.gz UNIYTXODNXTZKD-JTQLQIEISA-N -1 3 515.123 5.985 1 0 KKAFHM CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027327620 561854030 /nfs/dbraw/zinc/85/40/30/561854030.db2.gz NOASMCANAQBJTR-UHFFFAOYSA-N -1 3 538.659 6.746 1 0 KKAFHM CCCc1nc2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027327620 561854031 /nfs/dbraw/zinc/85/40/31/561854031.db2.gz NOASMCANAQBJTR-UHFFFAOYSA-N -1 3 538.659 6.746 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1-c1ccc(CN2CCCCC[C@H]2c2ccccc2)[nH]1 ZINC000027552349 561868326 /nfs/dbraw/zinc/86/83/26/561868326.db2.gz RUYAQBZRWRWQHR-LJAQVGFWSA-N -1 3 515.679 6.608 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027655721 561877433 /nfs/dbraw/zinc/87/74/33/561877433.db2.gz RRUIPCHOXMEDEU-UHFFFAOYSA-N -1 3 539.665 5.595 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027655721 561877434 /nfs/dbraw/zinc/87/74/34/561877434.db2.gz RRUIPCHOXMEDEU-UHFFFAOYSA-N -1 3 539.665 5.595 1 0 KKAFHM Cc1ccccc1NC(=O)Nc1ccc(CN[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000027708574 561879317 /nfs/dbraw/zinc/87/93/17/561879317.db2.gz MKCISCXMJCFWLW-UIOOFZCWSA-N -1 3 560.651 5.204 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C2CCCCC2)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027712510 561879882 /nfs/dbraw/zinc/87/98/82/561879882.db2.gz QCHIKUDBAALGIC-RPWUZVMVSA-N -1 3 558.672 6.658 1 0 KKAFHM CCCCc1ccc(CNC(=O)Nc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027750236 561883216 /nfs/dbraw/zinc/88/32/16/561883216.db2.gz GMFAMMOCJRXYDF-UHFFFAOYSA-N -1 3 533.636 5.408 1 0 KKAFHM CCCCc1ccc(CNC(=O)Nc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027750236 561883217 /nfs/dbraw/zinc/88/32/17/561883217.db2.gz GMFAMMOCJRXYDF-UHFFFAOYSA-N -1 3 533.636 5.408 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C(C)(C)C)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718448 561880396 /nfs/dbraw/zinc/88/03/96/561880396.db2.gz HZDGIIPDZBKNTD-NHCUHLMSSA-N -1 3 532.634 6.124 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])CC)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027730160 561881340 /nfs/dbraw/zinc/88/13/40/561881340.db2.gz YLGWSTZEZPRBPW-UXHICEINSA-N -1 3 504.580 5.346 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)C(=O)OC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027748427 561883046 /nfs/dbraw/zinc/88/30/46/561883046.db2.gz JUCYRRBYYCAJGP-UHFFFAOYSA-N -1 3 604.755 7.024 1 0 KKAFHM CCCCc1ccc(CN(Cc2ccccc2)C(=O)OC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027748427 561883049 /nfs/dbraw/zinc/88/30/49/561883049.db2.gz JUCYRRBYYCAJGP-UHFFFAOYSA-N -1 3 604.755 7.024 1 0 KKAFHM CN(C)Cc1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1[O-])C2 ZINC000027873449 561888370 /nfs/dbraw/zinc/88/83/70/561888370.db2.gz MYYYAVHLMNXDHB-UHFFFAOYSA-N -1 3 556.666 6.383 1 0 KKAFHM O=C([O-])C1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)Nc3ccc(Cl)cn3)cc2)CC1 ZINC000028098132 561901094 /nfs/dbraw/zinc/90/10/94/561901094.db2.gz IMHVAYCIQQZEOV-UHFFFAOYSA-N -1 3 527.408 5.190 1 0 KKAFHM CCCCCCN(CCCCCC)CC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028100460 561901525 /nfs/dbraw/zinc/90/15/25/561901525.db2.gz GDKPKRKTZMMMFK-ACHIHNKUSA-N -1 3 646.829 6.196 1 0 KKAFHM O=c1c2c([n-]c3ccccc31)[C@@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3cncn3Cc3ccccc3)cn1)C2 ZINC000028103894 561902036 /nfs/dbraw/zinc/90/20/36/561902036.db2.gz YFJZTISMEVURGQ-MGBGTMOVSA-N -1 3 537.623 5.879 1 0 KKAFHM CC(C)[C@@H]([N-]C(=O)C(F)(F)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)OC(C)(C)C ZINC000028226872 561908199 /nfs/dbraw/zinc/90/81/99/561908199.db2.gz AEKAXOFUKMZAOP-XFCANUNOSA-N -1 3 737.841 5.931 1 0 KKAFHM O=C([O-])C1CCN(CCC=C(c2sccc2COc2ccccc2)c2sccc2COc2ccccc2)CC1 ZINC000028563083 561935413 /nfs/dbraw/zinc/93/54/13/561935413.db2.gz GAQBOCVPRIOPRO-UHFFFAOYSA-N -1 3 559.753 7.586 1 0 KKAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1cc2cccc(NC(=O)c3ccc(NCCN(C)C)nc3)c2s1 ZINC000028710603 561951507 /nfs/dbraw/zinc/95/15/07/561951507.db2.gz SCYJKQUPJVASAH-UHFFFAOYSA-N -1 3 638.816 5.452 1 0 KKAFHM CCCCc1nc2ccc(NC(=O)OCc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028759424 561957641 /nfs/dbraw/zinc/95/76/41/561957641.db2.gz WLPWGOVJFFDCBF-UHFFFAOYSA-N -1 3 585.668 6.383 1 0 KKAFHM CCCCc1nc2ccc(NC(=O)OCc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028759424 561957642 /nfs/dbraw/zinc/95/76/42/561957642.db2.gz WLPWGOVJFFDCBF-UHFFFAOYSA-N -1 3 585.668 6.383 1 0 KKAFHM COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Br)c1[O-] ZINC000028881501 561976861 /nfs/dbraw/zinc/97/68/61/561976861.db2.gz YIPQHYCSFFCMDP-FQEVSTJZSA-N -1 3 551.547 5.192 1 0 KKAFHM COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1[O-] ZINC000028881448 561976917 /nfs/dbraw/zinc/97/69/17/561976917.db2.gz GYJZIUBHPYGBAE-HXUWFJFHSA-N -1 3 626.601 5.715 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)cc(Br)c1[O-] ZINC000028881637 561976966 /nfs/dbraw/zinc/97/69/66/561976966.db2.gz JCKJYNFLQZJLRW-OAQYLSRUSA-N -1 3 579.601 6.016 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1[O-] ZINC000028881825 561977097 /nfs/dbraw/zinc/97/70/97/561977097.db2.gz YWJNANGQYIFTHM-FQEVSTJZSA-N -1 3 565.574 5.626 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CCOCc2ccccc2)CC(=O)[O-])cc1 ZINC000028949139 561980492 /nfs/dbraw/zinc/98/04/92/561980492.db2.gz WEJIGJHEKHEJBT-UHFFFAOYSA-N -1 3 500.595 5.375 1 0 KKAFHM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@@H]([N-]S(=O)(=O)c2ccccc2F)C3)cc2ccccc21 ZINC000028949621 561980705 /nfs/dbraw/zinc/98/07/05/561980705.db2.gz LYZPFOMSSIJUAS-QFIPXVFZSA-N -1 3 506.599 5.676 1 0 KKAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3cc4ccc(Cl)cc4s3)C2=O)c(F)c1 ZINC000028979541 561988179 /nfs/dbraw/zinc/98/81/79/561988179.db2.gz KPQIAHUXGBJGEW-ABSORMQESA-N -1 3 605.134 5.460 1 0 KKAFHM O=C1[C@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-c2ccccc2C(F)(F)F)cn1 ZINC000028979654 561988251 /nfs/dbraw/zinc/98/82/51/561988251.db2.gz DYLIAHZHSNMERV-NCUBBLFSSA-N -1 3 527.977 5.178 1 0 KKAFHM CC(C)c1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)N=C2c1ccccc1F ZINC000029227303 562008440 /nfs/dbraw/zinc/00/84/40/562008440.db2.gz LFPRQWKLPAPNDB-GLFASVCFSA-N -1 3 663.758 5.110 1 0 KKAFHM CC(C)c1cccc2c1N(CC(=O)N1CC3CCC(CC3)C1)C(=O)[C@@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)N=C2c1ccccc1F ZINC000029227303 562008442 /nfs/dbraw/zinc/00/84/42/562008442.db2.gz LFPRQWKLPAPNDB-GLFASVCFSA-N -1 3 663.758 5.110 1 0 KKAFHM COc1ccccc1Oc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cc(Cl)c(Cl)cc1C(=O)[O-])CC2 ZINC000029133065 562003571 /nfs/dbraw/zinc/00/35/71/562003571.db2.gz QIKZCTAHJYIRQZ-UHFFFAOYSA-N -1 3 583.512 7.011 1 0 KKAFHM Cc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029247477 562010813 /nfs/dbraw/zinc/01/08/13/562010813.db2.gz FEWXOPDQNUMGCM-UHFFFAOYSA-N -1 3 603.686 6.447 1 0 KKAFHM Cc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029247477 562010814 /nfs/dbraw/zinc/01/08/14/562010814.db2.gz FEWXOPDQNUMGCM-UHFFFAOYSA-N -1 3 603.686 6.447 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3C(=O)OCC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029398460 562019215 /nfs/dbraw/zinc/01/92/15/562019215.db2.gz SEDHRMXNXHQPIV-UHFFFAOYSA-N -1 3 587.684 5.661 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3C(=O)OCC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029398460 562019217 /nfs/dbraw/zinc/01/92/17/562019217.db2.gz SEDHRMXNXHQPIV-UHFFFAOYSA-N -1 3 587.684 5.661 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3N)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029398464 562019252 /nfs/dbraw/zinc/01/92/52/562019252.db2.gz SSYKWWYPSOVNMP-UHFFFAOYSA-N -1 3 530.636 5.067 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3N)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029398464 562019254 /nfs/dbraw/zinc/01/92/54/562019254.db2.gz SSYKWWYPSOVNMP-UHFFFAOYSA-N -1 3 530.636 5.067 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CC(c4cc(C)cs4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029411110 562021724 /nfs/dbraw/zinc/02/17/24/562021724.db2.gz GNQYKXVQRXYFJK-SSEXGKCCSA-N -1 3 601.736 6.870 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CC(c4cc(C)cs4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029411110 562021725 /nfs/dbraw/zinc/02/17/25/562021725.db2.gz GNQYKXVQRXYFJK-SSEXGKCCSA-N -1 3 601.736 6.870 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C(=O)N4CCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029415319 562022790 /nfs/dbraw/zinc/02/27/90/562022790.db2.gz ZQLSMMPHQPKDKB-KWXDVARASA-N -1 3 644.780 5.252 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C(=O)N4CCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029415319 562022791 /nfs/dbraw/zinc/02/27/91/562022791.db2.gz ZQLSMMPHQPKDKB-KWXDVARASA-N -1 3 644.780 5.252 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)CCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029484441 562028013 /nfs/dbraw/zinc/02/80/13/562028013.db2.gz MGIFUZCKKBKLEZ-GQUWGDPSSA-N -1 3 589.700 5.290 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4C(=O)CCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029484441 562028015 /nfs/dbraw/zinc/02/80/15/562028015.db2.gz MGIFUZCKKBKLEZ-GQUWGDPSSA-N -1 3 589.700 5.290 1 0 KKAFHM Cc1oc2c(c1CN1CCC[C@@H](Oc3ccc(C=C4SC(=O)[N-]C4=O)cc3)C1)c(C)c(OCc1ccccc1)c(C)c2C ZINC000029560610 562033088 /nfs/dbraw/zinc/03/30/88/562033088.db2.gz RAFQPUGTCFMNKH-DLKLHXKQSA-N -1 3 596.749 7.613 1 0 KKAFHM C[C@@H](c1cccs1)N(Cc1ccco1)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1 ZINC000033356467 562037235 /nfs/dbraw/zinc/03/72/35/562037235.db2.gz KLGDKPLAQONLHF-PPHZAIPVSA-N -1 3 549.674 5.035 1 0 KKAFHM CCCC[C@@H]1N(C)c2ccc(C(C)(C)OC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222168 562051559 /nfs/dbraw/zinc/05/15/59/562051559.db2.gz BWGYVCLWDPCSHM-MUUNZHRXSA-N -1 3 524.669 6.024 1 0 KKAFHM CCCC[C@@H]1N(C)c2ccc(C(C)(C)OC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222168 562051561 /nfs/dbraw/zinc/05/15/61/562051561.db2.gz BWGYVCLWDPCSHM-MUUNZHRXSA-N -1 3 524.669 6.024 1 0 KKAFHM COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1[O-])CC3=NCC2 ZINC000085894127 560066373 /nfs/dbraw/zinc/06/63/73/560066373.db2.gz CHBVIBICEXFYEU-UHFFFAOYSA-N -1 3 576.649 6.492 1 0 biogenic,in-vitro KKAFHM CCCCc1nc(Cl)c(C(=O)Oc2ccc(CO[N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000043511618 562648812 /nfs/dbraw/zinc/64/88/12/562648812.db2.gz REFHJXHMNSOPLD-UHFFFAOYSA-N -1 3 588.024 5.702 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)Oc2ccc(CO[N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000043511618 562648813 /nfs/dbraw/zinc/64/88/13/562648813.db2.gz REFHJXHMNSOPLD-UHFFFAOYSA-N -1 3 588.024 5.702 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2cccc([C@@H](C)O[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000043523592 562648832 /nfs/dbraw/zinc/64/88/32/562648832.db2.gz SJXSPMFWTGLMIE-HXUWFJFHSA-N -1 3 616.078 6.401 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2cccc([C@@H](C)O[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000043523592 562648833 /nfs/dbraw/zinc/64/88/33/562648833.db2.gz SJXSPMFWTGLMIE-HXUWFJFHSA-N -1 3 616.078 6.401 1 0 KKAFHM CCCCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1C(F)(F)F)O2 ZINC000043531682 562649127 /nfs/dbraw/zinc/64/91/27/562649127.db2.gz PLIOJBIDBYUPBK-JOKIHGTQSA-N -1 3 563.638 7.296 1 0 KKAFHM Cc1c(-c2cccc(OCCCC(=O)[O-])c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000044350764 562654371 /nfs/dbraw/zinc/65/43/71/562654371.db2.gz GXMAQGOTQMHUBR-DEOSSOPVSA-N -1 3 617.571 5.274 1 0 KKAFHM CC(C)(C)OC(=O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000044352138 562655014 /nfs/dbraw/zinc/65/50/14/562655014.db2.gz RFTWUDRKAGUCMY-AZGAKELHSA-N -1 3 564.702 5.997 1 0 KKAFHM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2nc3ccccc3c(=O)[nH]2)c(SCc2ccccc2)cc1Cl ZINC000044431030 562657736 /nfs/dbraw/zinc/65/77/36/562657736.db2.gz IOOSMPZWANJLDX-UHFFFAOYSA-N -1 3 577.087 6.334 1 0 KKAFHM CCC[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000045168026 562658115 /nfs/dbraw/zinc/65/81/15/562658115.db2.gz DBLCUQVRRYATBC-KOSHJBKYSA-N -1 3 504.593 6.452 1 0 KKAFHM CC(C)Oc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccc(Cl)cc3)cc1F)CCN(C)CC2 ZINC000045189335 562658409 /nfs/dbraw/zinc/65/84/09/562658409.db2.gz VLADTGIAPXLRHM-UHFFFAOYSA-N -1 3 503.039 5.765 1 0 KKAFHM O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1C(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045303213 562660787 /nfs/dbraw/zinc/66/07/87/562660787.db2.gz XSZJZSLQHPCFLD-RPBOFIJWSA-N -1 3 509.433 6.164 1 0 KKAFHM Cc1cc2nc(N3CCCC[C@H]3CO)n(CC(=O)c3cc(C(C)(C)C)c([O-])c(C(C)(C)C)c3)c2cc1C ZINC000045358765 562662019 /nfs/dbraw/zinc/66/20/19/562662019.db2.gz MKCOGJXGVYBNSX-QFIPXVFZSA-N -1 3 505.703 6.188 1 0 KKAFHM Cc1cc2nc(N3CCCC[C@@H]3CO)n(CC(=O)c3cc(C(C)(C)C)c([O-])c(C(C)(C)C)c3)c2cc1C ZINC000045358763 562662027 /nfs/dbraw/zinc/66/20/27/562662027.db2.gz MKCOGJXGVYBNSX-JOCHJYFZSA-N -1 3 505.703 6.188 1 0 KKAFHM CC(C)C[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045365614 562662076 /nfs/dbraw/zinc/66/20/76/562662076.db2.gz FRUCELJGZUOAPI-HBGVWJBISA-N -1 3 502.499 7.134 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCCc2ccccc21)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000048307347 562662981 /nfs/dbraw/zinc/66/29/81/562662981.db2.gz BMMQMGVWPFKTGH-WDYNHAJCSA-N -1 3 565.541 7.629 1 0 KKAFHM Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2[n-]1 ZINC000049650275 562668040 /nfs/dbraw/zinc/66/80/40/562668040.db2.gz RCRODOVSLLRLGH-WOFUPGFCSA-N -1 3 730.866 5.173 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000049694969 562670061 /nfs/dbraw/zinc/67/00/61/562670061.db2.gz UWMUSNFEUBBYGB-PSXMRANNSA-N -1 3 655.199 7.232 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000049694969 562670062 /nfs/dbraw/zinc/67/00/62/562670062.db2.gz UWMUSNFEUBBYGB-PSXMRANNSA-N -1 3 655.199 7.232 1 0 KKAFHM CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000049708509 562670975 /nfs/dbraw/zinc/67/09/75/562670975.db2.gz CQFWHUCSXRDQPO-OUMDNPPYSA-N -1 3 566.890 5.630 1 0 KKAFHM O=C(NCCCc1ccccc1)c1csc([C@@H]2CCCN(C(=O)c3ccc([O-])c(-c4cccc5ccccc54)c3)C2)n1 ZINC000049722769 562672514 /nfs/dbraw/zinc/67/25/14/562672514.db2.gz ZYSDYBGNNCPRPP-HHHXNRCGSA-N -1 3 575.734 7.051 1 0 KKAFHM Cc1ccc(S(=O)(=O)NN=c2nc(-c3ccccc3)[n-]c3c2[C@@H]2CCCN2C(=O)N3c2ccccc2)cc1 ZINC000049722862 562672605 /nfs/dbraw/zinc/67/26/05/562672605.db2.gz ZOELSMJIMMTVLA-QHCPKHFHSA-N -1 3 526.622 5.166 1 0 KKAFHM Cc1cc2nc(N3CCC(Cc4ccccc4)CC3)n(CC(=O)c3cc(C(C)(C)C)c([O-])c(C(C)(C)C)c3)c2cc1C ZINC000049755996 562674770 /nfs/dbraw/zinc/67/47/70/562674770.db2.gz QGLWZSDWMHONEN-UHFFFAOYSA-N -1 3 565.802 8.296 1 0 KKAFHM CN(C)CCN1c2ccc(I)cc2C(=O)N([C@H](C(=O)[O-])c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O ZINC000049776366 562679468 /nfs/dbraw/zinc/67/94/68/562679468.db2.gz CHUHVISKSKMVCI-ZEQRLZLVSA-N -1 3 652.316 5.516 1 0 KKAFHM Cc1c(-c2cccc(OCCCCCC(=O)[O-])c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000049898818 562692881 /nfs/dbraw/zinc/69/28/81/562692881.db2.gz WWIQHIRTDVHNNM-SANMLTNESA-N -1 3 645.625 6.055 1 0 KKAFHM O=C(CCCCCNC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1)NCc1cccc(C(F)(F)F)c1 ZINC000049917627 562693669 /nfs/dbraw/zinc/69/36/69/562693669.db2.gz AZOROSSGJURBDV-UHFFFAOYSA-N -1 3 553.408 6.991 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCCCC1)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000049917930 562694164 /nfs/dbraw/zinc/69/41/64/562694164.db2.gz JHMRFSALPVXIBR-SANMLTNESA-N -1 3 545.646 5.749 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326904 562702731 /nfs/dbraw/zinc/70/27/31/562702731.db2.gz SEMPSRFAOIWVCV-AWEZNQCLSA-N -1 3 533.613 5.456 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327390 562702742 /nfs/dbraw/zinc/70/27/42/562702742.db2.gz WJAVAXPNJXMTTE-CQSZACIVSA-N -1 3 534.000 5.012 1 0 KKAFHM CCCCCCOc1nc(C(F)(F)Cl)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327395 562702772 /nfs/dbraw/zinc/70/27/72/562702772.db2.gz DRNCGZKHPHZGSG-HNNXBMFYSA-N -1 3 536.016 5.259 1 0 KKAFHM COCCOC1CCC(n2nc(-c3ccc([N-]c4nc5cc(Cl)cc(C)c5o4)c(F)c3)c3c2ncnc3N)CC1 ZINC000063540209 562704502 /nfs/dbraw/zinc/70/45/02/562704502.db2.gz DMSXWHFOVKIEKR-UHFFFAOYSA-N -1 3 566.037 6.208 1 0 KKAFHM CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cc(C)c(CN3CC(C(=O)[O-])C3)c(C)c2)s1 ZINC000068245892 562716102 /nfs/dbraw/zinc/71/61/02/562716102.db2.gz GMVJHSUZWHWCPE-UHFFFAOYSA-N -1 3 513.063 5.439 1 0 KKAFHM COc1cc(OC)c2c([O-])c3c(c(-c4c(OC)cc(OC)c5c(O)c6c(cc54)[C@H](OC(C)=O)[C@H](C)OC6)c2c1)[C@H](OC(C)=O)[C@H](C)OC3 ZINC000072132813 562726878 /nfs/dbraw/zinc/72/68/78/562726878.db2.gz JCDFFJNDAXRABU-DZEHZSJLSA-N -1 3 662.688 6.151 1 0 KKAFHM COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@@H](CCc3ccccc3)C(=O)[O-])cc2OCc2ccc(Cl)cc2)cc1 ZINC000072142417 562729523 /nfs/dbraw/zinc/72/95/23/562729523.db2.gz WJURJKVAXOKAFT-JDXGNMNLSA-N -1 3 616.114 5.252 1 0 KKAFHM CCCCNc1ccc2c(c1)[N-]C(=S)[C@@H](c1ccc(Cl)cc1)N([C@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073139794 562733479 /nfs/dbraw/zinc/73/34/79/562733479.db2.gz NELKOIHGMMKSKX-RPBOFIJWSA-N -1 3 556.515 7.056 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC(C)(C)C)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073139769 562733525 /nfs/dbraw/zinc/73/35/25/562733525.db2.gz UXCCSGPJGOHOLI-JWQCQUIFSA-N -1 3 570.542 7.302 1 0 KKAFHM CCCNc1ccc2c(c1)[N-]C(=S)[C@H](c1ccc(Cl)cc1)N([C@@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073156393 562733828 /nfs/dbraw/zinc/73/38/28/562733828.db2.gz ARVWKZBBDJPUMU-BJKOFHAPSA-N -1 3 542.488 6.666 1 0 KKAFHM O=C(NCCN1CCCCC1)c1cccc(Oc2ncc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000073195606 562734943 /nfs/dbraw/zinc/73/49/43/562734943.db2.gz ANRVKRAATRXECV-UHFFFAOYSA-N -1 3 583.925 5.851 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc4ccccc4c3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000082136622 562738983 /nfs/dbraw/zinc/73/89/83/562738983.db2.gz ZJYXTZMDAXXAND-ZWXJPIIXSA-N -1 3 640.592 8.609 1 0 KKAFHM COc1cc(Oc2ccc(C(=O)NCCN3CCCC3)cc2)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000082138006 562739106 /nfs/dbraw/zinc/73/91/06/562739106.db2.gz JGGXGLYMIBMQAT-UHFFFAOYSA-N -1 3 632.488 6.440 1 0 KKAFHM COc1cc(/C=C/c2cc3c(c(SC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc([O-])c1C/C=C(\C)CCC=C(C)C ZINC000082151128 562739913 /nfs/dbraw/zinc/73/99/13/562739913.db2.gz FSHXXIZXYWXEFM-MVQKBHOFSA-N -1 3 576.843 9.019 1 0 KKAFHM CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4OCCO)n3c2)n(-c2ccc([O-])c(Cl)c2)n1 ZINC000082157577 562740960 /nfs/dbraw/zinc/74/09/60/562740960.db2.gz AKWRLASNTKBHRU-UHFFFAOYSA-N -1 3 684.222 7.083 1 0 KKAFHM CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4cc([O-])ccc4Cl)n3c2)n(-c2cccc(OCCO)c2)n1 ZINC000082157572 562740968 /nfs/dbraw/zinc/74/09/68/562740968.db2.gz FMJBVMDHEUURPL-UHFFFAOYSA-N -1 3 684.222 7.083 1 0 KKAFHM COc1cc(=O)c2c([O-])cc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)oc-2c1 ZINC000084617328 562744835 /nfs/dbraw/zinc/74/48/35/562744835.db2.gz ZUULLQGMZOHIHX-UHFFFAOYSA-N -1 3 606.163 7.550 1 0 KKAFHM COc1cc([O-])c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4ccc(Cl)cc4nc4c3CCCC4)oc2c1 ZINC000084617328 562744836 /nfs/dbraw/zinc/74/48/36/562744836.db2.gz ZUULLQGMZOHIHX-UHFFFAOYSA-N -1 3 606.163 7.550 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3cc(OC)ccc3OC)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084672474 562748791 /nfs/dbraw/zinc/74/87/91/562748791.db2.gz MJVJUEWZIWGYLO-UHFFFAOYSA-N -1 3 615.738 6.182 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3cc(OC)ccc3OC)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084672474 562748792 /nfs/dbraw/zinc/74/87/92/562748792.db2.gz MJVJUEWZIWGYLO-UHFFFAOYSA-N -1 3 615.738 6.182 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690623 562749689 /nfs/dbraw/zinc/74/96/89/562749689.db2.gz NEXMNIQEJWBCSO-RTWAWAEBSA-N -1 3 519.837 6.498 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Br)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690630 562749710 /nfs/dbraw/zinc/74/97/10/562749710.db2.gz MEGSHHRTRATOHX-NHCUHLMSSA-N -1 3 564.288 6.607 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084709533 562750312 /nfs/dbraw/zinc/75/03/12/562750312.db2.gz PZTXQOOIYYVVEH-UHFFFAOYSA-N -1 3 541.659 6.123 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084709533 562750313 /nfs/dbraw/zinc/75/03/13/562750313.db2.gz PZTXQOOIYYVVEH-UHFFFAOYSA-N -1 3 541.659 6.123 1 0 KKAFHM Cc1cc(OC2CCN(C)CC2)cc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)[O-])c1 ZINC000084741367 562752165 /nfs/dbraw/zinc/75/21/65/562752165.db2.gz LQXKEVYUMXREMM-XMMPIXPASA-N -1 3 501.623 5.973 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095539391 562755030 /nfs/dbraw/zinc/75/50/30/562755030.db2.gz ZETMRDHMCISLLD-QZCKSCMDSA-N -1 3 764.864 6.474 3 0 KKAFHM O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[n-]2)c2ccccc12 ZINC000095539575 562755157 /nfs/dbraw/zinc/75/51/57/562755157.db2.gz XWSOHSQAJGNFGQ-XFJIVUHKSA-N -1 3 810.756 5.743 1 0 KKAFHM O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12 ZINC000095539575 562755158 /nfs/dbraw/zinc/75/51/58/562755158.db2.gz XWSOHSQAJGNFGQ-XFJIVUHKSA-N -1 3 810.756 5.743 1 0 KKAFHM COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4CCCOc4ccccc4C(=O)[O-])CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000095539957 562755414 /nfs/dbraw/zinc/75/54/14/562755414.db2.gz ZINVMVLQGZEHNI-WBVITSLISA-N -1 3 774.915 6.998 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CCN(CCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000095544868 562757954 /nfs/dbraw/zinc/75/79/54/562757954.db2.gz XMJHQAKLGNJANW-UHFFFAOYSA-N -1 3 773.038 6.595 1 0 KKAFHM S=c1nc(Nc2ccc(Br)cc2)c2c3c(sc2[n-]1)CN(N1CCc2c(sc4[nH]c(=S)nc(Nc5ccc(Br)cc5)c24)C1)CC3 ZINC000095550358 562760130 /nfs/dbraw/zinc/76/01/30/562760130.db2.gz FZPBOJXWEMDOTH-UHFFFAOYSA-N -1 3 784.654 9.365 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)c(F)c2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560757 562763163 /nfs/dbraw/zinc/76/31/63/562763163.db2.gz OLYIUSRYRGMOQO-MYUZEXMDSA-N -1 3 517.538 7.660 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561168 562763293 /nfs/dbraw/zinc/76/32/93/562763293.db2.gz QCZYXTWOIPNMDB-WXTAPIANSA-N -1 3 500.536 6.036 1 0 KKAFHM CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(F)ccc2[O-])n3Cc2ccc(OC)c(O)c2)n1 ZINC000095562685 562763750 /nfs/dbraw/zinc/76/37/50/562763750.db2.gz KMYRWPUGXYOYCU-UHFFFAOYSA-N -1 3 538.579 6.627 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc2cccc4ccccc42)OCCCC[C@@H](C)O3)cc1 ZINC000095566783 562765225 /nfs/dbraw/zinc/76/52/25/562765225.db2.gz USSUINMNPXSLJL-SGBCODJCSA-N -1 3 730.928 6.908 3 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095566927 562765383 /nfs/dbraw/zinc/76/53/83/562765383.db2.gz MYYMGOYXUZYBJC-NJQVLOCASA-N -1 3 662.809 5.166 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095567070 562765461 /nfs/dbraw/zinc/76/54/61/562765461.db2.gz QMWRRMYICQUONI-PDTNBVABSA-N -1 3 627.807 5.435 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095567407 562765774 /nfs/dbraw/zinc/76/57/74/562765774.db2.gz RXIJSVCALBVVES-VBEKBXFHSA-N -1 3 706.733 6.722 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568844 562766922 /nfs/dbraw/zinc/76/69/22/562766922.db2.gz JQXCVRFSCSGTFT-MWXNICTNSA-N -1 3 634.626 5.384 1 0 KKAFHM CCC[C@@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095572233 562769367 /nfs/dbraw/zinc/76/93/67/562769367.db2.gz OTDSFZWENWUAKU-REWPJTCUSA-N -1 3 512.006 5.167 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1nccs1 ZINC000095571590 562769183 /nfs/dbraw/zinc/76/91/83/562769183.db2.gz WYBLPVCDXXVRBU-NTEUORMPSA-N -1 3 611.768 5.890 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccc(Cl)cc1 ZINC000095574025 562769852 /nfs/dbraw/zinc/76/98/52/562769852.db2.gz LVIJTOINHKUOFJ-GIJQJNRQSA-N -1 3 639.196 7.087 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccccn1 ZINC000095575157 562770195 /nfs/dbraw/zinc/77/01/95/562770195.db2.gz SSMRAPCHFHLNLR-SFQUDFHCSA-N -1 3 605.739 5.829 1 0 KKAFHM CCOC(=O)[C@H](CCN(C)C)NC(=O)c1c(C)cc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095575911 562770491 /nfs/dbraw/zinc/77/04/91/562770491.db2.gz MUPBWYLCLLKSQE-MHZLTWQESA-N -1 3 600.181 5.655 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1csc(N)n1 ZINC000095576280 562770552 /nfs/dbraw/zinc/77/05/52/562770552.db2.gz LQRHFLMROZTROU-NTEUORMPSA-N -1 3 626.783 5.472 1 0 KKAFHM CNc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)cs1 ZINC000095576291 562770569 /nfs/dbraw/zinc/77/05/69/562770569.db2.gz ADJLOLVSBJCICV-XNTDXEJSSA-N -1 3 640.810 5.932 1 0 KKAFHM Cc1ccc(Nc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1C ZINC000095577437 562770918 /nfs/dbraw/zinc/77/09/18/562770918.db2.gz XIHOVVIFTSOLQE-INIZCTEOSA-N -1 3 538.567 5.391 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1csc(-c2ccccc2)n1 ZINC000095580300 562771799 /nfs/dbraw/zinc/77/17/99/562771799.db2.gz OBYOXWUKCTXTSL-XMHGGMMESA-N -1 3 687.866 7.557 1 0 KKAFHM CCc1nc2ccn(Cc3cccc(F)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095580889 562771997 /nfs/dbraw/zinc/77/19/97/562771997.db2.gz JLNFWGWIKOBDNT-MHZLTWQESA-N -1 3 531.595 5.331 1 0 KKAFHM CCc1nc2ccn(Cc3cccc(F)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095580889 562771998 /nfs/dbraw/zinc/77/19/98/562771998.db2.gz JLNFWGWIKOBDNT-MHZLTWQESA-N -1 3 531.595 5.331 1 0 KKAFHM CCc1nc2ccn(Cc3ccccc3C(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095581273 562772119 /nfs/dbraw/zinc/77/21/19/562772119.db2.gz HCESEAYWJXZRBP-MHZLTWQESA-N -1 3 581.602 6.210 1 0 KKAFHM CCc1nc2ccn(Cc3ccccc3C(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095581273 562772120 /nfs/dbraw/zinc/77/21/20/562772120.db2.gz HCESEAYWJXZRBP-MHZLTWQESA-N -1 3 581.602 6.210 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@@H](C)OC(=O)OC2CCCCC2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000095591198 562775522 /nfs/dbraw/zinc/77/55/22/562775522.db2.gz DGSVWHMOQKIGBQ-OAQYLSRUSA-N -1 3 616.719 5.947 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@@H](C)OC(=O)OC2CCCCC2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000095591198 562775523 /nfs/dbraw/zinc/77/55/23/562775523.db2.gz DGSVWHMOQKIGBQ-OAQYLSRUSA-N -1 3 616.719 5.947 1 0 KKAFHM COc1ccc(C(OCCN2C[C@](O)(c3ccc(OC)cc3)C[C@H]2CC(=O)[O-])(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095593118 562776121 /nfs/dbraw/zinc/77/61/21/562776121.db2.gz FADFTISNLYTMHU-GERKYKROSA-N -1 3 627.734 5.466 1 0 KKAFHM CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCN(C)c4ccccc4)c(C)c3oc2=O)ccc1[O-] ZINC000095597323 562777222 /nfs/dbraw/zinc/77/72/22/562777222.db2.gz VOTPSPJSDADJRY-UHFFFAOYSA-N -1 3 526.633 6.473 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600634 562779070 /nfs/dbraw/zinc/77/90/70/562779070.db2.gz ZBBNPLMVFVREHD-FCSDHKMCSA-N -1 3 719.867 6.742 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600954 562779369 /nfs/dbraw/zinc/77/93/69/562779369.db2.gz UQRVVYXDOOLUAO-QZCKSCMDSA-N -1 3 723.830 6.573 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095604573 562781113 /nfs/dbraw/zinc/78/11/13/562781113.db2.gz ZBBNPLMVFVREHD-JCLAXVLHSA-N -1 3 719.867 6.742 1 0 KKAFHM COCCOCCO[C@H]([N-]C(=O)C(F)(F)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000095608077 562783343 /nfs/dbraw/zinc/78/33/43/562783343.db2.gz ASFQBMCEHHGOIW-YSJNHPSYSA-N -1 3 755.856 5.226 1 0 KKAFHM COc1ccc(NC(=O)[N-]c2nc3nn(CCc4cc(Br)c(Br)cc4Br)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000095612337 562785428 /nfs/dbraw/zinc/78/54/28/562785428.db2.gz LZFKHGMOYUQWQX-UHFFFAOYSA-N -1 3 731.203 6.917 1 0 KKAFHM CN(C)C[C@@H]1CCCCN1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000095615073 562787041 /nfs/dbraw/zinc/78/70/41/562787041.db2.gz YROVOSXORNPYJN-DHUJRADRSA-N -1 3 757.397 7.130 1 0 KKAFHM COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095751755 562788840 /nfs/dbraw/zinc/78/88/40/562788840.db2.gz XHKHZLHSPYTKDF-IHLWBQKJSA-N -1 3 690.838 5.965 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095834396 562789403 /nfs/dbraw/zinc/78/94/03/562789403.db2.gz GQPLODGYDYCVNT-FNFPNEPISA-N -1 3 650.625 5.084 1 0 KKAFHM CCCCc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096270902 562793509 /nfs/dbraw/zinc/79/35/09/562793509.db2.gz ZWLLBJLEERYXJK-GOSISDBHSA-N -1 3 581.632 5.953 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCC(C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286072 562795979 /nfs/dbraw/zinc/79/59/79/562795979.db2.gz UBXXTUIUNTZNET-DZIBYMRMSA-N -1 3 589.721 6.728 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286081 562795983 /nfs/dbraw/zinc/79/59/83/562795983.db2.gz RILBVWBJTIBBTF-SWKXRBFHSA-N -1 3 547.640 5.702 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1S[C@@H]1CCCC[C@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286078 562795993 /nfs/dbraw/zinc/79/59/93/562795993.db2.gz JXVCKHKRYPJWMM-QEEYODRMSA-N -1 3 547.640 5.702 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCOc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286096 562796048 /nfs/dbraw/zinc/79/60/48/562796048.db2.gz HSGBEFKDCXJUKS-INIZCTEOSA-N -1 3 571.618 5.202 1 0 KKAFHM COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)ccc(F)c5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910313 562799920 /nfs/dbraw/zinc/79/99/20/562799920.db2.gz RLRPOYALSLJYQI-YDEDJSSYSA-N -1 3 528.571 5.443 1 0 KKAFHM O=c1[n-]c(=O)n([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](OC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O)cc1Cl ZINC000096928952 562802989 /nfs/dbraw/zinc/80/29/89/562802989.db2.gz QJBAWUAFPJZOKV-VLGKNGBSSA-N -1 3 763.290 7.834 1 0 KKAFHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(Cl)cc4)cc3c2)c1F ZINC000096937599 562804284 /nfs/dbraw/zinc/80/42/84/562804284.db2.gz ZCOVYZWHPVVOJC-UHFFFAOYSA-N -1 3 504.946 5.566 1 0 KKAFHM CCOC(=O)C1=C(COCCNc2nc([O-])cs2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000100049691 562806390 /nfs/dbraw/zinc/80/63/90/562806390.db2.gz BUTGJIOWDJPZLP-QTTZHIOCSA-N -1 3 542.441 5.076 1 0 KKAFHM CC(=O)Nc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c([O-])n2-c2ccccc2F)cc1 ZINC000101807815 562812213 /nfs/dbraw/zinc/81/22/13/562812213.db2.gz CJJVISKORVMLIM-UHFFFAOYSA-N -1 3 501.543 5.059 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccc(Br)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103195805 562815812 /nfs/dbraw/zinc/81/58/12/562815812.db2.gz BNWWGRNEVVQGLC-UHFFFAOYSA-N -1 3 594.517 6.247 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccc(Br)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103195805 562815813 /nfs/dbraw/zinc/81/58/13/562815813.db2.gz BNWWGRNEVVQGLC-UHFFFAOYSA-N -1 3 594.517 6.247 1 0 KKAFHM CCOC(=O)CCN(Cc1ccccc1)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccccc1 ZINC000103201963 562816144 /nfs/dbraw/zinc/81/61/44/562816144.db2.gz PNJSRLQPFJLROR-UHFFFAOYSA-N -1 3 513.566 5.340 1 0 KKAFHM CCOC(=O)CCN(Cc1ccccc1)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccccc1 ZINC000103201963 562816145 /nfs/dbraw/zinc/81/61/45/562816145.db2.gz PNJSRLQPFJLROR-UHFFFAOYSA-N -1 3 513.566 5.340 1 0 KKAFHM CCCCc1nnc(Sc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103215770 562817080 /nfs/dbraw/zinc/81/70/80/562817080.db2.gz WXGYUPAPIWXHCM-UHFFFAOYSA-N -1 3 510.627 5.253 1 0 KKAFHM CCCCc1nnc(Sc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103215770 562817081 /nfs/dbraw/zinc/81/70/81/562817081.db2.gz WXGYUPAPIWXHCM-UHFFFAOYSA-N -1 3 510.627 5.253 1 0 KKAFHM CN(SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC000103219517 562817377 /nfs/dbraw/zinc/81/73/77/562817377.db2.gz RDNCZFPIYYUGHG-UHFFFAOYSA-N -1 3 505.465 5.770 1 0 KKAFHM CN(SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C ZINC000103219517 562817378 /nfs/dbraw/zinc/81/73/78/562817378.db2.gz RDNCZFPIYYUGHG-UHFFFAOYSA-N -1 3 505.465 5.770 1 0 KKAFHM COc1ccc2c(c1)c(CC(=O)Oc1cc([O-])c3c(c1)O[C@H](c1ccc(O)cc1)CC3=O)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000103286418 562823819 /nfs/dbraw/zinc/82/38/19/562823819.db2.gz YBSZDKFEHCVZHK-PMERELPUSA-N -1 3 612.034 6.566 1 0 KKAFHM COc1cc(NC(=O)[C@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@@H]2c2cccc(Cl)c2F)ccc1C(=O)[O-] ZINC000113335318 562826428 /nfs/dbraw/zinc/82/64/28/562826428.db2.gz CLKNOEDGVNGHHQ-JXFSROLISA-N -1 3 614.501 6.228 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1-c1ccc(N2CCNCC2)nc1)C1CC1 ZINC000114037819 562827232 /nfs/dbraw/zinc/82/72/32/562827232.db2.gz JEIDWBHFLNLBQE-UHFFFAOYSA-N -1 3 519.432 5.979 1 0 KKAFHM CN1CCC(n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)CC1 ZINC000114039160 562827410 /nfs/dbraw/zinc/82/74/10/562827410.db2.gz LKBNIFQBLUAWMO-UHFFFAOYSA-N -1 3 520.008 6.199 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143195990 562834743 /nfs/dbraw/zinc/83/47/43/562834743.db2.gz XRQGFFRGXFLCEX-ZJSXRUAMSA-N -1 3 583.559 5.799 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc2[nH]ccc21)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145729434 562837555 /nfs/dbraw/zinc/83/75/55/562837555.db2.gz ZSYPNVGGXCSXLT-CQSZACIVSA-N -1 3 534.535 5.179 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(Cl)c(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146018090 562837929 /nfs/dbraw/zinc/83/79/29/562837929.db2.gz YNARTJIMGKSGFB-LBPRGKRZSA-N -1 3 564.388 6.005 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(C(=O)c1ccc(Cl)cn1)C2 ZINC000146058460 562837992 /nfs/dbraw/zinc/83/79/92/562837992.db2.gz NBNOFUPLFKGRKU-UHFFFAOYSA-N -1 3 516.964 5.274 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(C(=O)c1ccc(Cl)cn1)CC2 ZINC000146058460 562837993 /nfs/dbraw/zinc/83/79/93/562837993.db2.gz NBNOFUPLFKGRKU-UHFFFAOYSA-N -1 3 516.964 5.274 1 0 KKAFHM O=C(c1ccc(F)cc1)N1CCc2[nH]c(-c3n[nH]c4cc(-c5cc(F)c([O-])cc5CC(F)(F)F)ccc43)nc2C1 ZINC000146195524 562838301 /nfs/dbraw/zinc/83/83/01/562838301.db2.gz BFMKOFWLWUPHSN-UHFFFAOYSA-N -1 3 553.491 5.907 1 0 KKAFHM O=C(c1ccc(F)cc1)N1CCc2nc(-c3n[nH]c4cc(-c5cc(F)c([O-])cc5CC(F)(F)F)ccc43)[nH]c2C1 ZINC000146195524 562838302 /nfs/dbraw/zinc/83/83/02/562838302.db2.gz BFMKOFWLWUPHSN-UHFFFAOYSA-N -1 3 553.491 5.907 1 0 KKAFHM CCOc1nnc(-c2cc(C(=O)N3CCC(F)(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)[n-]1 ZINC000150020130 562842868 /nfs/dbraw/zinc/84/28/68/562842868.db2.gz CIPXZNOZKOTYDO-UHFFFAOYSA-N -1 3 530.566 6.566 1 0 KKAFHM CCOc1nc(-c2cc(C(=O)N3CCC(F)(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)n[n-]1 ZINC000150020130 562842869 /nfs/dbraw/zinc/84/28/69/562842869.db2.gz CIPXZNOZKOTYDO-UHFFFAOYSA-N -1 3 530.566 6.566 1 0 KKAFHM CCOc1n[n-]c(-c2cc(C(=O)N3CCC(F)(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)n1 ZINC000150020130 562842870 /nfs/dbraw/zinc/84/28/70/562842870.db2.gz CIPXZNOZKOTYDO-UHFFFAOYSA-N -1 3 530.566 6.566 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)O3)cc1 ZINC000150533499 562843847 /nfs/dbraw/zinc/84/38/47/562843847.db2.gz ZCVYHUVHDQCFKB-QZCKSCMDSA-N -1 3 752.352 5.266 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000150536447 562843945 /nfs/dbraw/zinc/84/39/45/562843945.db2.gz RPNLMNYQLLWISV-CVBAWMJOSA-N -1 3 740.316 5.396 1 0 KKAFHM Cc1cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)ccc1[N-]S(C)(=O)=O ZINC000150603058 562847354 /nfs/dbraw/zinc/84/73/54/562847354.db2.gz GEMOJLFQNTTWCD-DEOSSOPVSA-N -1 3 631.481 5.838 1 0 KKAFHM COc1cc([N-]S(C)(=O)=O)ccc1C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 ZINC000150603067 562847356 /nfs/dbraw/zinc/84/73/56/562847356.db2.gz LIFZRCXARBAEEF-QHCPKHFHSA-N -1 3 647.480 5.538 1 0 KKAFHM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CC[C@]3(CN(C)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165388830 562850165 /nfs/dbraw/zinc/85/01/65/562850165.db2.gz HONGGKDJWPLAQD-MCEQXHFDSA-N -1 3 684.903 5.874 1 0 KKAFHM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@@]34COC[C@@]3(CN(C)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165408467 562850217 /nfs/dbraw/zinc/85/02/17/562850217.db2.gz VTGVGKUCWISWGN-MCEQXHFDSA-N -1 3 700.902 5.111 1 0 KKAFHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@@H](c3ccc(Cl)cc3)[C@@H]2C)S1 ZINC000169316170 562855810 /nfs/dbraw/zinc/85/58/10/562855810.db2.gz MFPPUBZRTCSQHK-YEZOPEGDSA-N -1 3 533.481 5.363 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324741 562857459 /nfs/dbraw/zinc/85/74/59/562857459.db2.gz BQXSMESKERBBLO-UHFFFAOYSA-N -1 3 535.652 5.641 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324741 562857460 /nfs/dbraw/zinc/85/74/60/562857460.db2.gz BQXSMESKERBBLO-UHFFFAOYSA-N -1 3 535.652 5.641 1 0 KKAFHM CCOc1nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324707 562857471 /nfs/dbraw/zinc/85/74/71/562857471.db2.gz IAQNRLHXVDQDDN-OAQYLSRUSA-N -1 3 543.631 5.821 1 0 KKAFHM CCOc1nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324707 562857472 /nfs/dbraw/zinc/85/74/72/562857472.db2.gz IAQNRLHXVDQDDN-OAQYLSRUSA-N -1 3 543.631 5.821 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324725 562857486 /nfs/dbraw/zinc/85/74/86/562857486.db2.gz JZKVIGBNDFYVSO-UHFFFAOYSA-N -1 3 529.604 5.260 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324725 562857487 /nfs/dbraw/zinc/85/74/87/562857487.db2.gz JZKVIGBNDFYVSO-UHFFFAOYSA-N -1 3 529.604 5.260 1 0 KKAFHM CCC[C@@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169326875 562857862 /nfs/dbraw/zinc/85/78/62/562857862.db2.gz XVPXLXHJBOCGDG-CVDCTZTESA-N -1 3 542.032 5.176 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=S)NCc4ccccc4)cc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000169339724 562860452 /nfs/dbraw/zinc/86/04/52/562860452.db2.gz QQYYCLHUDLWINO-SSEXGKCCSA-N -1 3 604.201 6.115 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=S)NCc4ccccc4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000169339711 562860473 /nfs/dbraw/zinc/86/04/73/562860473.db2.gz XDPGDIUQGLHHQP-SSEXGKCCSA-N -1 3 569.756 5.461 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc([N-]S(=O)(=O)c2cccc(-c3cnn(C)c3)c2)cc1F ZINC000169344653 562861447 /nfs/dbraw/zinc/86/14/47/562861447.db2.gz LPCWRKLTAPXZDQ-UHFFFAOYSA-N -1 3 660.772 5.392 1 0 KKAFHM CCCCC(CCCC)[C@H]1C(=C([O-])c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694818 562865630 /nfs/dbraw/zinc/86/56/30/562865630.db2.gz DLBSADYRTNZKDY-SXOMAYOGSA-N -1 3 502.611 5.614 1 0 KKAFHM CCCCC(CCCC)[C@H]1C(C(=O)c2ccc(CO)cc2)=C([O-])C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694818 562865631 /nfs/dbraw/zinc/86/56/31/562865631.db2.gz DLBSADYRTNZKDY-SXOMAYOGSA-N -1 3 502.611 5.614 1 0 KKAFHM COCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169695990 562865912 /nfs/dbraw/zinc/86/59/12/562865912.db2.gz QEWQEZIOKXTKMW-KAYWLYCHSA-N -1 3 505.636 5.637 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)s1 ZINC000169696081 562865936 /nfs/dbraw/zinc/86/59/36/562865936.db2.gz KPEGKBZAPGWVBV-CLJLJLNGSA-N -1 3 502.636 5.314 1 0 KKAFHM CCOC(=O)C(C)(C)C([O-])=C1C(=O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@H]1c1ccccc1OC ZINC000169696299 562865967 /nfs/dbraw/zinc/86/59/67/562865967.db2.gz YKGYDTALUZSYBL-ZEQRLZLVSA-N -1 3 519.619 5.164 1 0 KKAFHM CCOC(=O)C(C)(C)C(=O)C1=C([O-])C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@H]1c1ccccc1OC ZINC000169696299 562865968 /nfs/dbraw/zinc/86/59/68/562865968.db2.gz YKGYDTALUZSYBL-ZEQRLZLVSA-N -1 3 519.619 5.164 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696435 562866068 /nfs/dbraw/zinc/86/60/68/562866068.db2.gz RQEOHLMIPYZKQS-WUFINQPMSA-N -1 3 544.673 5.084 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000169696510 562866152 /nfs/dbraw/zinc/86/61/52/562866152.db2.gz TZIMETHCTSAIIS-NSOVKSMOSA-N -1 3 528.674 5.387 1 0 KKAFHM COc1cccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c1 ZINC000169702625 562868487 /nfs/dbraw/zinc/86/84/87/562868487.db2.gz UJMINFAVBRDISC-UHFFFAOYSA-N -1 3 538.604 5.238 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-c2ccc(C(F)(F)F)nc2)cc1C ZINC000169702645 562868499 /nfs/dbraw/zinc/86/84/99/562868499.db2.gz REZWHAHHWBMEBV-UHFFFAOYSA-N -1 3 569.580 6.164 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CCCN(CCN(C)C)C1 ZINC000203987276 562874271 /nfs/dbraw/zinc/87/42/71/562874271.db2.gz HBCSKPHEJXULQA-IBGZPJMESA-N -1 3 501.458 5.555 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1-c1ccc(OCCN2CCCC2)cc1)C1CC1 ZINC000203987071 562874275 /nfs/dbraw/zinc/87/42/75/562874275.db2.gz VNLFKSIEMHTZQT-UHFFFAOYSA-N -1 3 547.482 7.649 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2cccc(F)c2)cc1F ZINC000204116948 562874335 /nfs/dbraw/zinc/87/43/35/562874335.db2.gz OZRXHDUHGXFVID-VWLOTQADSA-N -1 3 613.674 6.623 1 0 KKAFHM C[C@@H](c1ccncc1)N1CCN(Cc2ccc(-c3ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc3)cc2)CC1 ZINC000205445396 562875408 /nfs/dbraw/zinc/87/54/08/562875408.db2.gz DNTMCNBTTISIRL-IBGZPJMESA-N -1 3 523.521 5.940 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(CNc3nccn4cc(-c5ccc6ccccc6c5)nc34)cc2)cc1 ZINC000206594307 562876455 /nfs/dbraw/zinc/87/64/55/562876455.db2.gz ZCOYUCHIJHVYMJ-UHFFFAOYSA-N -1 3 519.630 6.271 1 0 KKAFHM CN1CC=C(c2cc(C(F)(F)F)ccc2-c2nccc3cc(S(=O)(=O)[N-]c4ccncn4)ccc32)CC1 ZINC000215494996 562877392 /nfs/dbraw/zinc/87/73/92/562877392.db2.gz WGIPOIJAYZGXFD-UHFFFAOYSA-N -1 3 525.556 5.230 1 0 KKAFHM Cc1nn(-c2ccc(C)cc2)c(C)c1CN1CCc2cc(S(=O)(=O)[N-]c3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000220160441 562878381 /nfs/dbraw/zinc/87/83/81/562878381.db2.gz UKRTYGVANCAREZ-UHFFFAOYSA-N -1 3 614.831 7.809 1 0 KKAFHM CC(C)(C)c1ncc(CN2CCc3cc(S(=O)(=O)[N-]c4ccc(CCCC5CCCC5)cc4F)ccc3C2)s1 ZINC000220158718 562878411 /nfs/dbraw/zinc/87/84/11/562878411.db2.gz RBIIRDZYGLPGBR-UHFFFAOYSA-N -1 3 569.812 7.452 1 0 KKAFHM CCOC(=O)[C@@H]1[C@H](c2ccccc2Br)N(C)[C@@H](c2ccccc2Br)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000253676488 562882774 /nfs/dbraw/zinc/88/27/74/562882774.db2.gz FXIQVIUXZIBHOR-LJCOXQHRSA-N -1 3 669.819 6.191 1 0 KKAFHM CC[C@@H]1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000299833959 562886335 /nfs/dbraw/zinc/88/63/35/562886335.db2.gz PWFPKEHFLZSCDG-HZPDHXFCSA-N -1 3 527.584 5.624 1 0 KKAFHM CC(=O)[N-]C1=NN(C(C)=O)[C@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@H](c3ccc(Cl)cc3)[C@@H]2C)S1 ZINC000299847674 562890017 /nfs/dbraw/zinc/89/00/17/562890017.db2.gz MFPPUBZRTCSQHK-BKBHXNQTSA-N -1 3 533.481 5.363 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299870182 562895432 /nfs/dbraw/zinc/89/54/32/562895432.db2.gz VZAAMCVGJJRSSH-AWEZNQCLSA-N -1 3 550.068 5.725 1 0 KKAFHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000473089756 562897435 /nfs/dbraw/zinc/89/74/35/562897435.db2.gz LUJKHRHCGQVVAQ-UHFFFAOYSA-N -1 3 511.619 5.870 1 0 KKAFHM O=C(Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2s1)NC1CC1 ZINC000473116254 562899139 /nfs/dbraw/zinc/89/91/39/562899139.db2.gz WFCYKYWPNDNUOI-UHFFFAOYSA-N -1 3 517.995 5.236 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3cccc4c3cccc4N(C)C)cc1)CC2 ZINC000473136493 562901079 /nfs/dbraw/zinc/90/10/79/562901079.db2.gz RZMGECKVAPPQQZ-UHFFFAOYSA-N -1 3 664.828 6.577 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CC[C@@H](F)C2)CC1)C1CC1 ZINC000473152123 562901772 /nfs/dbraw/zinc/90/17/72/562901772.db2.gz MQZWPCCIMNZVNV-ZPMCFJSWSA-N -1 3 540.054 6.429 1 0 KKAFHM O=c1cc(-c2ccccc2)oc2cc(OCCCCN=c3[nH]c4ccc(Br)cc4s3)cc([O-])c12 ZINC000473154035 562902029 /nfs/dbraw/zinc/90/20/29/562902029.db2.gz DRDDQPPSAMCIHC-UHFFFAOYSA-N -1 3 537.435 6.231 1 0 KKAFHM COc1ccc(CSc2cc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000473154191 562902073 /nfs/dbraw/zinc/90/20/73/562902073.db2.gz FAUNQVXIAOSZHP-INIZCTEOSA-N -1 3 570.630 5.937 1 0 KKAFHM CCCC(=O)c1ccc2[nH]c(=NCCCCOc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3)sc2c1 ZINC000473154734 562902247 /nfs/dbraw/zinc/90/22/47/562902247.db2.gz KZLLLPMXGBABTJ-UHFFFAOYSA-N -1 3 528.630 6.451 1 0 KKAFHM CCCCCCOc1cc(C(C)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473160533 562902752 /nfs/dbraw/zinc/90/27/52/562902752.db2.gz YFNUARUHUDBNGY-QGZVFWFLSA-N -1 3 514.610 5.688 1 0 KKAFHM COc1cc(CN(C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473244457 562904851 /nfs/dbraw/zinc/90/48/51/562904851.db2.gz LKFYHONURQIOHX-ONTIZHBOSA-N -1 3 575.077 5.470 1 0 KKAFHM Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3ccc4[nH]c(C)nc4c3)c3ccc([O-])c(F)c3)c(Cl)c2)n1 ZINC000653730882 562909445 /nfs/dbraw/zinc/90/94/45/562909445.db2.gz VVNXUQUIOABXPY-SFHVURJKSA-N -1 3 539.398 5.474 1 0 KKAFHM Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@H](c3ccc4nc(C)[nH]c4c3)c3ccc([O-])c(F)c3)c(Cl)c2)n1 ZINC000653730882 562909446 /nfs/dbraw/zinc/90/94/46/562909446.db2.gz VVNXUQUIOABXPY-SFHVURJKSA-N -1 3 539.398 5.474 1 0 KKAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)c(O)cc2[O-])cc1 ZINC000653748749 562910570 /nfs/dbraw/zinc/91/05/70/562910570.db2.gz UAEWGXSILGLRLY-UHFFFAOYSA-N -1 3 513.903 6.382 1 0 KKAFHM CSc1nn2cc(-c3cc4c(cc([O-])cc4OCc4cccc(OCc5ccccc5)c4)o3)nc2s1 ZINC000653752963 562910777 /nfs/dbraw/zinc/91/07/77/562910777.db2.gz SQRUZLYKGCYERU-UHFFFAOYSA-N -1 3 515.616 6.790 1 0 KKAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCOCC3)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653769223 562911793 /nfs/dbraw/zinc/91/17/93/562911793.db2.gz MIDBSZHCPLCZDJ-UHFFFAOYSA-N -1 3 545.039 5.196 1 0 KKAFHM C/C=C(\C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C)C1CCCC1 ZINC000085595256 565152748 /nfs/dbraw/zinc/15/27/48/565152748.db2.gz LFXFUSOZDJPIAN-IGGRRGLOSA-N -1 3 640.733 5.810 1 0 biogenic,in-vitro KKAFHM C/C=C(\C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C)C1CCCC1 ZINC000085595256 565152750 /nfs/dbraw/zinc/15/27/50/565152750.db2.gz LFXFUSOZDJPIAN-IGGRRGLOSA-N -1 3 640.733 5.810 1 0 biogenic,in-vitro KKAFHM C=C/C(C)=C/C[C@@]1(C)[C@H]2C[C@@H](OC(C)=O)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@H](OC(=O)c2ccc([O-])cc2)C[C@@H]1C ZINC000095099053 291891824 /nfs/dbraw/zinc/89/18/24/291891824.db2.gz NVVFTAMNEDAOEH-OUDDBVGXSA-N -1 3 596.673 5.159 1 0 biogenic,in-vitro KKAFHM CC(C)=CCC/C(C)=C/Cc1c([O-])cc(/C=C/c2cc(O)c3c(c2)C[C@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)O3)cc1O ZINC000095486303 291910188 /nfs/dbraw/zinc/91/01/88/291910188.db2.gz HSDZWMOBUPRZEU-VWUMPOCKSA-N -1 3 548.720 6.671 1 0 biogenic,in-vitro KKAFHM O=C([O-])c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000001488300 561676192 /nfs/dbraw/zinc/67/61/92/561676192.db2.gz CQCVAZNIKVGUMK-UHFFFAOYSA-N -1 3 501.604 6.068 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000001538290 561676865 /nfs/dbraw/zinc/67/68/65/561676865.db2.gz FVIZJEDZHHDQIG-UHFFFAOYSA-N -1 3 503.994 5.228 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000001538290 561676867 /nfs/dbraw/zinc/67/68/67/561676867.db2.gz FVIZJEDZHHDQIG-UHFFFAOYSA-N -1 3 503.994 5.228 1 0 KKAFHM COc1c2occc2c(OC)c(C(=O)C[C@H]2c3c(cc4oc(C)cc(=O)c4c3OC)OC(=N)[C@H]2c2nc3ccccc3[nH]2)c1[O-] ZINC000005543955 561696456 /nfs/dbraw/zinc/69/64/56/561696456.db2.gz RFQPFMXLAHEOKE-FYSMJZIKSA-N -1 3 609.591 5.965 1 0 KKAFHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008594084 561706050 /nfs/dbraw/zinc/70/60/50/561706050.db2.gz QNLJFIOVBJLWKL-MRXNPFEDSA-N -1 3 567.836 5.711 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2cccc3occc32)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013760920 561727696 /nfs/dbraw/zinc/72/76/96/561727696.db2.gz RKFSECKICQQHMR-ZJGIAAPESA-N -1 3 506.643 5.712 1 0 KKAFHM Cc1cc([N-]c2nc3ccc(C(=O)Nc4c(C)cccc4Cl)cc3s2)nc(CN2CCOCC2)n1 ZINC000013536671 561717838 /nfs/dbraw/zinc/71/78/38/561717838.db2.gz CSVBNLZQQMJJTJ-UHFFFAOYSA-N -1 3 509.035 5.185 1 0 KKAFHM CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CCN(C)C(=O)OC(C)(C)C)[n-]c(=O)c12 ZINC000013585132 561720403 /nfs/dbraw/zinc/72/04/03/561720403.db2.gz PZWCYYNIMWRGIM-UHFFFAOYSA-N -1 3 518.854 5.200 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCCCC(F)(F)F ZINC000013780885 561729347 /nfs/dbraw/zinc/72/93/47/561729347.db2.gz XJOKWONNLCTIIF-TYBLODHISA-N -1 3 528.612 5.435 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825662 561732987 /nfs/dbraw/zinc/73/29/87/561732987.db2.gz UZSYRMIOPIDJBT-UHFFFAOYSA-N -1 3 511.655 5.301 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825662 561732988 /nfs/dbraw/zinc/73/29/88/561732988.db2.gz UZSYRMIOPIDJBT-UHFFFAOYSA-N -1 3 511.655 5.301 1 0 KKAFHM CCCCc1nn(-c2ccccc2-c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832647 561733610 /nfs/dbraw/zinc/73/36/10/561733610.db2.gz HAIVKSHDQLOZEG-UHFFFAOYSA-N -1 3 527.632 5.939 1 0 KKAFHM CCCCc1nn(-c2ccccc2-c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832647 561733612 /nfs/dbraw/zinc/73/36/12/561733612.db2.gz HAIVKSHDQLOZEG-UHFFFAOYSA-N -1 3 527.632 5.939 1 0 KKAFHM CCCCc1nn(CC(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013833902 561733941 /nfs/dbraw/zinc/73/39/41/561733941.db2.gz CEWWPRZYORVDDT-UHFFFAOYSA-N -1 3 512.536 5.403 1 0 KKAFHM CCCCc1nn(CC(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013833902 561733943 /nfs/dbraw/zinc/73/39/43/561733943.db2.gz CEWWPRZYORVDDT-UHFFFAOYSA-N -1 3 512.536 5.403 1 0 KKAFHM CC[C@@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943516 561741874 /nfs/dbraw/zinc/74/18/74/561741874.db2.gz ZNEZCXJJIUHKKH-LAJKQIPCSA-N -1 3 626.754 6.421 1 0 KKAFHM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943519 561741892 /nfs/dbraw/zinc/74/18/92/561741892.db2.gz ZNEZCXJJIUHKKH-FZIXDTKSSA-N -1 3 626.754 6.421 1 0 KKAFHM C[C@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000014973150 561751872 /nfs/dbraw/zinc/75/18/72/561751872.db2.gz VUJKAHHLCSGVDB-FPOVZHCZSA-N -1 3 548.721 5.163 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1cccc(Br)c1 ZINC000026146918 561767321 /nfs/dbraw/zinc/76/73/21/561767321.db2.gz ZIOVOMUSQFZEIB-SVBPBHIXSA-N -1 3 705.668 8.271 1 0 KKAFHM CCCCc1nc2c(ncc(N(CCCC)C(=O)c3ccccc3)c2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026282334 561779274 /nfs/dbraw/zinc/77/92/74/561779274.db2.gz MUVSJTOXNTYMCI-UHFFFAOYSA-N -1 3 598.755 7.425 1 0 KKAFHM CCCCc1nc2c(ncc(N(CCCC)C(=O)c3ccccc3)c2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026282334 561779276 /nfs/dbraw/zinc/77/92/76/561779276.db2.gz MUVSJTOXNTYMCI-UHFFFAOYSA-N -1 3 598.755 7.425 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026385978 561784370 /nfs/dbraw/zinc/78/43/70/561784370.db2.gz RGPBYKABVKOLGH-LJQANCHMSA-N -1 3 570.606 5.395 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026385978 561784371 /nfs/dbraw/zinc/78/43/71/561784371.db2.gz RGPBYKABVKOLGH-LJQANCHMSA-N -1 3 570.606 5.395 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC(CC)CC)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026400404 561788210 /nfs/dbraw/zinc/78/82/10/561788210.db2.gz WVGSXUNLHNNCAH-FQEVSTJZSA-N -1 3 598.660 6.175 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC(CC)CC)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026400404 561788211 /nfs/dbraw/zinc/78/82/11/561788211.db2.gz WVGSXUNLHNNCAH-FQEVSTJZSA-N -1 3 598.660 6.175 1 0 KKAFHM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@@H](c2cccc(NC(=O)[C@@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000026491892 561793589 /nfs/dbraw/zinc/79/35/89/561793589.db2.gz ZNEZCXJJIUHKKH-MRLTYDNFSA-N -1 3 626.754 6.421 1 0 KKAFHM CCCCc1nn(CCCN(Cc2ccccc2)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026572567 561798268 /nfs/dbraw/zinc/79/82/68/561798268.db2.gz PULBYLRLAZMIDJ-UHFFFAOYSA-N -1 3 656.791 6.512 1 0 KKAFHM CCCCc1nn(CCCN(Cc2ccccc2)C(=O)OCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026572567 561798270 /nfs/dbraw/zinc/79/82/70/561798270.db2.gz PULBYLRLAZMIDJ-UHFFFAOYSA-N -1 3 656.791 6.512 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579771 561805164 /nfs/dbraw/zinc/80/51/64/561805164.db2.gz ARCDKRKGQBSIQE-WJOKGBTCSA-N -1 3 601.711 5.977 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579771 561805166 /nfs/dbraw/zinc/80/51/66/561805166.db2.gz ARCDKRKGQBSIQE-WJOKGBTCSA-N -1 3 601.711 5.977 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)N(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026638882 561806367 /nfs/dbraw/zinc/80/63/67/561806367.db2.gz VNBLTQXCUPGATI-SSEXGKCCSA-N -1 3 586.700 5.114 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)N(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026638882 561806369 /nfs/dbraw/zinc/80/63/69/561806369.db2.gz VNBLTQXCUPGATI-SSEXGKCCSA-N -1 3 586.700 5.114 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)N3CCCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026644098 561807188 /nfs/dbraw/zinc/80/71/88/561807188.db2.gz NWNGMOPQRWXRLE-XIFFEERXSA-N -1 3 626.765 6.038 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)N3CCCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026644098 561807189 /nfs/dbraw/zinc/80/71/89/561807189.db2.gz NWNGMOPQRWXRLE-XIFFEERXSA-N -1 3 626.765 6.038 1 0 KKAFHM COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(C(=O)[O-])cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026717687 561814473 /nfs/dbraw/zinc/81/44/73/561814473.db2.gz ZLXCEBAWAKEHFS-QLKFWGTOSA-N -1 3 730.862 6.578 1 0 KKAFHM COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(C(=O)[O-])cc4)CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000026717679 561814482 /nfs/dbraw/zinc/81/44/82/561814482.db2.gz ZLXCEBAWAKEHFS-VZUYHUTRSA-N -1 3 730.862 6.578 1 0 KKAFHM CCCc1nc2ccc(N(Cc3ccccc3)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026943929 561828327 /nfs/dbraw/zinc/82/83/27/561828327.db2.gz BLKGBLIWUFMXLD-UHFFFAOYSA-N -1 3 627.749 7.044 1 0 KKAFHM CCCc1nc2ccc(N(Cc3ccccc3)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026943929 561828328 /nfs/dbraw/zinc/82/83/28/561828328.db2.gz BLKGBLIWUFMXLD-UHFFFAOYSA-N -1 3 627.749 7.044 1 0 KKAFHM O=C([O-])CCCCN1CCN([C@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027518217 561862052 /nfs/dbraw/zinc/86/20/52/561862052.db2.gz SVVJEDRBKOBRPP-HSZRJFAPSA-N -1 3 532.525 5.855 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C(C)C)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718247 561880393 /nfs/dbraw/zinc/88/03/93/561880393.db2.gz RQHFYLDVMMJFGB-SFTDATJTSA-N -1 3 518.607 5.734 1 0 KKAFHM O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028379765 561920003 /nfs/dbraw/zinc/92/00/03/561920003.db2.gz PCTMLMXARAILHB-UHFFFAOYSA-N -1 3 680.152 7.270 1 0 KKAFHM CCCS(=O)(=O)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028392200 561922510 /nfs/dbraw/zinc/92/25/10/561922510.db2.gz LIXBTTIETCMYIB-UHFFFAOYSA-N -1 3 569.026 6.876 1 0 KKAFHM CCN(CC)C[C@H]1CN(C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccc(OC)cc2)CCO1 ZINC000028471989 561927052 /nfs/dbraw/zinc/92/70/52/561927052.db2.gz GQICWVPXBLZMOB-MHZLTWQESA-N -1 3 561.723 5.632 1 0 KKAFHM O=S(=O)([N-]CC1CCC(Nc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F ZINC000028523101 561929805 /nfs/dbraw/zinc/92/98/05/561929805.db2.gz NJWKXGIQDOFDKH-UHFFFAOYSA-N -1 3 559.408 5.240 1 0 KKAFHM O=C(Nc1ccccc1[O-])/C(=C/c1ccc(Oc2ccccc2Br)cc1)NC(=O)c1ccccc1 ZINC000028523146 561929994 /nfs/dbraw/zinc/92/99/94/561929994.db2.gz NTAQAKNGDWGQCE-MOHJPFBDSA-N -1 3 529.390 6.357 1 0 KKAFHM O=C([O-])C1CCN(CCC=C(c2sccc2COCc2ccccc2)c2sccc2COCc2ccccc2)CC1 ZINC000028564898 561935799 /nfs/dbraw/zinc/93/57/99/561935799.db2.gz CFDVMPTXJJAENN-UHFFFAOYSA-N -1 3 587.807 7.862 1 0 KKAFHM CCc1cc(Nc2cc(=O)n(CCCCCN3C[C@@H]4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)[O-])cn6CC)[C@@H]4C3)c(=O)[nH]2)ccc1C ZINC000028569508 561938191 /nfs/dbraw/zinc/93/81/91/561938191.db2.gz CHUPOJRARUNHOV-ZOYWYXQUSA-N -1 3 672.802 5.094 1 0 KKAFHM CCc1cc(Nc2cc(=O)n(CCCCCN3C[C@@H]4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)[O-])cn6C5CC5)[C@@H]4C3)c(=O)[nH]2)ccc1C ZINC000028569521 561938200 /nfs/dbraw/zinc/93/82/00/561938200.db2.gz MVSJSTSMTQLHJA-OGVWKLGRSA-N -1 3 684.813 5.409 1 0 KKAFHM CCCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028758885 561957369 /nfs/dbraw/zinc/95/73/69/561957369.db2.gz ZYYSNXPYCJHCLL-UHFFFAOYSA-N -1 3 536.640 5.164 1 0 KKAFHM CCCCc1nc2ccc(NC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028758885 561957371 /nfs/dbraw/zinc/95/73/71/561957371.db2.gz ZYYSNXPYCJHCLL-UHFFFAOYSA-N -1 3 536.640 5.164 1 0 KKAFHM COc1ccc(-c2nc3cc(C4=NN(Cc5ccc(-c6ccccc6-c6nnn[n-]6)cc5)C(=O)C[C@@H]4C)ccc3[nH]2)cc1 ZINC000028755491 561955606 /nfs/dbraw/zinc/95/56/06/561955606.db2.gz BLOPDJCCPUCMPV-FQEVSTJZSA-N -1 3 568.641 5.858 1 0 KKAFHM COc1ccc(-c2nc3cc(C4=NN(Cc5ccc(-c6ccccc6-c6nn[n-]n6)cc5)C(=O)C[C@@H]4C)ccc3[nH]2)cc1 ZINC000028755491 561955608 /nfs/dbraw/zinc/95/56/08/561955608.db2.gz BLOPDJCCPUCMPV-FQEVSTJZSA-N -1 3 568.641 5.858 1 0 KKAFHM CCCCc1nc2ccc(C3=NNC(=O)C[C@@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028755787 561955851 /nfs/dbraw/zinc/95/58/51/561955851.db2.gz UIOODGFNLCGWIH-IBGZPJMESA-N -1 3 518.625 5.134 1 0 KKAFHM CCCCc1nc2ccc(C3=NNC(=O)C[C@@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028755787 561955852 /nfs/dbraw/zinc/95/58/52/561955852.db2.gz UIOODGFNLCGWIH-IBGZPJMESA-N -1 3 518.625 5.134 1 0 KKAFHM CCCCc1nc2ccc(C(F)(F)F)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028756409 561956287 /nfs/dbraw/zinc/95/62/87/561956287.db2.gz BLMRTDYMHKHENU-UHFFFAOYSA-N -1 3 504.516 5.653 1 0 KKAFHM CCCCc1nc2ccc(C(F)(F)F)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028756409 561956289 /nfs/dbraw/zinc/95/62/89/561956289.db2.gz BLMRTDYMHKHENU-UHFFFAOYSA-N -1 3 504.516 5.653 1 0 KKAFHM COC(=O)c1ccccc1CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nnn[n-]5)cc4)c3c2)[C@H](C)CC1=O ZINC000028756875 561956595 /nfs/dbraw/zinc/95/65/95/561956595.db2.gz AGVPGQBNWWJQQU-HSZRJFAPSA-N -1 3 650.743 6.368 1 0 KKAFHM COC(=O)c1ccccc1CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[n-]n5)cc4)c3c2)[C@H](C)CC1=O ZINC000028756875 561956597 /nfs/dbraw/zinc/95/65/97/561956597.db2.gz AGVPGQBNWWJQQU-HSZRJFAPSA-N -1 3 650.743 6.368 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)cc(Br)c1[O-] ZINC000028881720 561976977 /nfs/dbraw/zinc/97/69/77/561976977.db2.gz WNQWQFCCWRLIQM-FQEVSTJZSA-N -1 3 551.547 5.335 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000028881807 561977001 /nfs/dbraw/zinc/97/70/01/561977001.db2.gz SRQJMFAOLIYUHY-HXUWFJFHSA-N -1 3 521.123 5.516 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1[O-] ZINC000028881820 561977100 /nfs/dbraw/zinc/97/71/00/561977100.db2.gz YWJNANGQYIFTHM-HXUWFJFHSA-N -1 3 565.574 5.626 1 0 KKAFHM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H]([N-]S(=O)(=O)c2ccccc2C(F)(F)F)C3)cc2ccccc21 ZINC000028949611 561980759 /nfs/dbraw/zinc/98/07/59/561980759.db2.gz MZOJZGMOVWKVAE-JOCHJYFZSA-N -1 3 556.606 6.556 1 0 KKAFHM Nc1cccc2cccc(NC(=O)CCCCCc3nc(-c4ccc(-c5ccccc5)cc4)cc(=O)[n-]3)c12 ZINC000029054997 561994839 /nfs/dbraw/zinc/99/48/39/561994839.db2.gz WPSJGOVABDNVFX-UHFFFAOYSA-N -1 3 502.618 6.581 1 0 KKAFHM O=C([O-])c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccc(CN5CCSCC5)cc4)cc3)o2)n1 ZINC000029136039 562004697 /nfs/dbraw/zinc/00/46/97/562004697.db2.gz VZFLZSAOYVIKAK-UHFFFAOYSA-N -1 3 513.619 5.466 1 0 KKAFHM CC(C)c1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029254631 562011537 /nfs/dbraw/zinc/01/15/37/562011537.db2.gz AXBAKKNMVBYNSI-UHFFFAOYSA-N -1 3 631.740 7.262 1 0 KKAFHM CC(C)c1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029254631 562011539 /nfs/dbraw/zinc/01/15/39/562011539.db2.gz AXBAKKNMVBYNSI-UHFFFAOYSA-N -1 3 631.740 7.262 1 0 KKAFHM CCCCc1nc2ccn(Cc3cccc(Cl)c3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029394965 562018288 /nfs/dbraw/zinc/01/82/88/562018288.db2.gz BMKPOQOKZKWQPL-UHFFFAOYSA-N -1 3 550.066 6.138 1 0 KKAFHM CCCCc1nc2ccn(Cc3cccc(Cl)c3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029394965 562018290 /nfs/dbraw/zinc/01/82/90/562018290.db2.gz BMKPOQOKZKWQPL-UHFFFAOYSA-N -1 3 550.066 6.138 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@H]4CCCCCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029485153 562028132 /nfs/dbraw/zinc/02/81/32/562028132.db2.gz VLMBACPJRXZTNH-NMUBOZGASA-N -1 3 603.771 6.892 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@H]4CCCCCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029485153 562028133 /nfs/dbraw/zinc/02/81/33/562028133.db2.gz VLMBACPJRXZTNH-NMUBOZGASA-N -1 3 603.771 6.892 1 0 KKAFHM CCCS(=O)(=O)c1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCC[S@@](=O)c1ccc([O-])cc1 ZINC000029545511 562029726 /nfs/dbraw/zinc/02/97/26/562029726.db2.gz MXCWFRGNHBTWKI-XIKUZZIYSA-N -1 3 634.769 5.390 1 0 KKAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)C[C@@H]2CC1CCCCC1 ZINC000029568613 562034919 /nfs/dbraw/zinc/03/49/19/562034919.db2.gz IRCIITOKKBCNGO-JYFHCDHNSA-N -1 3 586.741 5.071 1 0 KKAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)C[C@@H]2CC1CCCCC1 ZINC000029568613 562034920 /nfs/dbraw/zinc/03/49/20/562034920.db2.gz IRCIITOKKBCNGO-JYFHCDHNSA-N -1 3 586.741 5.071 1 0 KKAFHM CCCCc1nc2ccc([C@H]3ON4CCC[C@@H]4[C@H]3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222572 562051779 /nfs/dbraw/zinc/05/17/79/562051779.db2.gz FYIRUXBRHOVWLN-AFEGNUHBSA-N -1 3 619.726 5.265 1 0 KKAFHM CCCCc1nc2ccc([C@H]3ON4CCC[C@@H]4[C@H]3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222572 562051781 /nfs/dbraw/zinc/05/17/81/562051781.db2.gz FYIRUXBRHOVWLN-AFEGNUHBSA-N -1 3 619.726 5.265 1 0 KKAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CCCn3ccnc3)c1cc2-c1c(Cl)cccc1Cl ZINC000038804714 562072297 /nfs/dbraw/zinc/07/22/97/562072297.db2.gz MVJZWAJTUZRAKA-UHFFFAOYSA-N -1 3 505.361 5.644 1 0 KKAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])c(CC=C(C)C)c(OC)cc3O2)c(C/C=C(\C)CCC=C(C)C)c1O ZINC000040873089 562081700 /nfs/dbraw/zinc/08/17/00/562081700.db2.gz XZRKREBZFMXPOX-ODVIPSCOSA-N -1 3 520.666 7.565 1 0 KKAFHM Clc1ccc2ccc(C=Cc3cccc(Cn4c5ccccc5c5c4CN(CCc4nnn[n-]4)CC5)c3)nc2c1 ZINC000043078853 562645793 /nfs/dbraw/zinc/64/57/93/562645793.db2.gz RGYGJPGSQUMFRC-XYOKQWHBSA-N -1 3 546.078 6.176 1 0 KKAFHM Clc1ccc2ccc(C=Cc3cccc(Cn4c5ccccc5c5c4CN(CCc4nn[n-]n4)CC5)c3)nc2c1 ZINC000043078853 562645794 /nfs/dbraw/zinc/64/57/94/562645794.db2.gz RGYGJPGSQUMFRC-XYOKQWHBSA-N -1 3 546.078 6.176 1 0 KKAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCCc4ccccc4)c3Cl)c2n1 ZINC000043524581 562649108 /nfs/dbraw/zinc/64/91/08/562649108.db2.gz ZZZUWWBLBKQWCC-UHFFFAOYSA-N -1 3 600.568 6.235 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C[C@@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)cc1 ZINC000044265623 562652823 /nfs/dbraw/zinc/65/28/23/562652823.db2.gz ZSQMYPYNWDUKKX-NRFANRHFSA-N -1 3 536.650 5.347 1 0 KKAFHM COc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3nc4ccccc4c(=O)[nH]3)c(SCc3ccccc3)cc2Cl)cc1 ZINC000044352426 562655122 /nfs/dbraw/zinc/65/51/22/562655122.db2.gz LEBRENHNKVEWFM-UHFFFAOYSA-N -1 3 607.113 6.343 1 0 KKAFHM S=c1[n-]nc(CO[C@H](Cn2nnnc2Cc2ccccc2)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000044418742 562657341 /nfs/dbraw/zinc/65/73/41/562657341.db2.gz UYEDITUFSHKEFI-JOCHJYFZSA-N -1 3 538.464 5.398 1 0 KKAFHM O=C(NCc1cccc2ccccc21)[C@@H]1CCCN1C(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045189579 562658382 /nfs/dbraw/zinc/65/83/82/562658382.db2.gz CUMGYLWNTYUBKJ-SANMLTNESA-N -1 3 519.428 6.440 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NC1CCCCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045226660 562659331 /nfs/dbraw/zinc/65/93/31/562659331.db2.gz UJBSRCRFZWLGAS-SANMLTNESA-N -1 3 531.524 7.274 1 0 KKAFHM O=C(NCc1ccc(C(=O)NC2CCCCCC2)cc1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045302026 562660557 /nfs/dbraw/zinc/66/05/57/562660557.db2.gz XNOREXBUXOZLMZ-UHFFFAOYSA-N -1 3 511.449 6.749 1 0 KKAFHM Cn1c2ccccc2nc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045302387 562660597 /nfs/dbraw/zinc/66/05/97/562660597.db2.gz GFRJRYLMYOZEMF-GOSISDBHSA-N -1 3 523.420 5.744 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCC1)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000045338631 562661548 /nfs/dbraw/zinc/66/15/48/562661548.db2.gz RHWKZAAALKMURR-SANMLTNESA-N -1 3 524.583 6.258 1 0 KKAFHM COC[C@@H]1CCCN1c1nc2cc(C)c(C)cc2n1CC(=O)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1 ZINC000045367331 562662087 /nfs/dbraw/zinc/66/20/87/562662087.db2.gz BTGLPNMAFVTVLS-QFIPXVFZSA-N -1 3 505.703 6.452 1 0 KKAFHM CC(C)CC[C@H](c1cnc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045374180 562662301 /nfs/dbraw/zinc/66/23/01/562662301.db2.gz KCKWLINNXXTVNW-HBGVWJBISA-N -1 3 517.514 6.920 1 0 KKAFHM Cc1cc(OCCCN2CCC([N-]S(=O)(=O)c3cc(Br)c(Cl)s3)CC2)c2ccccc2n1 ZINC000049605480 562665981 /nfs/dbraw/zinc/66/59/81/562665981.db2.gz UXEVGCCRKJCQBZ-UHFFFAOYSA-N -1 3 558.951 5.232 1 0 KKAFHM C[C@H](CCN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1)Oc1cccc(CC(=O)[O-])c1 ZINC000049695239 562670307 /nfs/dbraw/zinc/67/03/07/562670307.db2.gz XFIORQLIQIPEBM-XMMPIXPASA-N -1 3 596.089 8.478 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1N1CCN(CC(C)C)CC1 ZINC000049710603 562671718 /nfs/dbraw/zinc/67/17/18/562671718.db2.gz LGFREFZAQBWKTK-UHFFFAOYSA-N -1 3 590.668 5.545 1 0 KKAFHM O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000049711018 562671950 /nfs/dbraw/zinc/67/19/50/562671950.db2.gz SVXDINNQDRRZOS-LJQANCHMSA-N -1 3 551.392 6.553 1 0 KKAFHM CCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1Br)O2 ZINC000049761953 562676253 /nfs/dbraw/zinc/67/62/53/562676253.db2.gz DKGMGNBUZOAOCL-BGRYJXGDSA-N -1 3 546.483 6.260 1 0 KKAFHM Cc1c(-c2cccc(OCCCCC(=O)[O-])c2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000049841377 562688307 /nfs/dbraw/zinc/68/83/07/562688307.db2.gz VUFHHJKMMITIBF-VWLOTQADSA-N -1 3 631.598 5.664 1 0 KKAFHM O=C(CCn1c2ccc(O)cc2c2c1cc(-c1c(Cl)cccc1Cl)c1c2C(=O)[N-]C1=O)n1ccnc1 ZINC000049877425 562690150 /nfs/dbraw/zinc/69/01/50/562690150.db2.gz FMPDOWUVELLXDM-UHFFFAOYSA-N -1 3 519.344 5.285 1 0 KKAFHM COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@@H](c3ccccc3)N(C)CCCC(=O)[O-])c2=O)c1F ZINC000049898599 562692682 /nfs/dbraw/zinc/69/26/82/562692682.db2.gz SSTWFLYMZFXJLL-SANMLTNESA-N -1 3 645.625 5.877 1 0 KKAFHM NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)n2CCC(=O)[O-])CC1 ZINC000058590921 562700358 /nfs/dbraw/zinc/70/03/58/562700358.db2.gz YILFIEZRQFQDPF-UHFFFAOYSA-N -1 3 631.988 6.203 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2[nH]ccc2c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328609 562702825 /nfs/dbraw/zinc/70/28/25/562702825.db2.gz HPWBNIMSUGJGOV-AWEZNQCLSA-N -1 3 534.535 5.179 1 0 KKAFHM CN(CCN1CCCC1)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099866 562711157 /nfs/dbraw/zinc/71/11/57/562711157.db2.gz ADWCQRSCTVWPEH-DEOSSOPVSA-N -1 3 501.671 5.843 1 0 KKAFHM CC(=O)Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)c3)cc2s1 ZINC000071317918 562718348 /nfs/dbraw/zinc/71/83/48/562718348.db2.gz LCGRAUSKPSGLOT-UHFFFAOYSA-N -1 3 526.949 5.790 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000072127049 562725646 /nfs/dbraw/zinc/72/56/46/562725646.db2.gz BYMKYRMIBVQZHL-BALWLHIASA-N -1 3 648.704 5.199 3 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nccn4c(-c5cccc(OC(F)(F)F)c5)cnc34)cc2)cc1 ZINC000072136681 562728080 /nfs/dbraw/zinc/72/80/80/562728080.db2.gz YJIGLVPOGJFEHT-UHFFFAOYSA-N -1 3 539.539 6.148 3 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc32)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000072139363 562728879 /nfs/dbraw/zinc/72/88/79/562728879.db2.gz VFHTVSLUTSUPRU-JDNLVSNKSA-N -1 3 665.212 5.607 3 0 KKAFHM CC(C)c1nc(-c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(-c2ccnc(Nc3ccc4c(c3)CN(C)CC4)n2)s1 ZINC000072176153 562731571 /nfs/dbraw/zinc/73/15/71/562731571.db2.gz KLEUWSFCKXAIKJ-UHFFFAOYSA-N -1 3 596.782 6.923 1 0 KKAFHM Cn1ccnc1-c1cc2nccc(Oc3ccc(NC([O-])=NC(=O)c4c(F)cccc4F)nc3)c2s1 ZINC000072180934 562732611 /nfs/dbraw/zinc/73/26/11/562732611.db2.gz PBGUBKKIKWALBU-UHFFFAOYSA-N -1 3 506.494 5.124 1 0 KKAFHM Cn1ccnc1-c1cc2nccc(Oc3ccc(NC(=O)[N-]C(=O)c4c(F)cccc4F)nc3)c2s1 ZINC000072180934 562732612 /nfs/dbraw/zinc/73/26/12/562732612.db2.gz PBGUBKKIKWALBU-UHFFFAOYSA-N -1 3 506.494 5.124 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(OC)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073138863 562733396 /nfs/dbraw/zinc/73/33/96/562733396.db2.gz PDNCVTOLRGBACF-WDYNHAJCSA-N -1 3 620.558 7.465 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(F)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073140504 562733609 /nfs/dbraw/zinc/73/36/09/562733609.db2.gz NGCVPNKDVBFMMI-IZLXSDGUSA-N -1 3 608.522 7.595 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Nc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3)c2)cc1 ZINC000073157737 562733903 /nfs/dbraw/zinc/73/39/03/562733903.db2.gz KWSZOWUKUGFWTL-UHFFFAOYSA-N -1 3 536.610 5.031 1 0 KKAFHM COc1ccc(NC(=O)[N-]c2nc3cn(CCCc4ccccc4)nc3c3nc(-c4ccco4)nn32)cc1 ZINC000073219418 562736160 /nfs/dbraw/zinc/73/61/60/562736160.db2.gz XWFPABOZDIPVNP-UHFFFAOYSA-N -1 3 508.542 5.019 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc4ccccc4c3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000082136621 562738967 /nfs/dbraw/zinc/73/89/67/562738967.db2.gz ZJYXTZMDAXXAND-ROJLCIKYSA-N -1 3 640.592 8.609 1 0 KKAFHM COc1cc(C(=O)NCCN2CCCCC2)ccc1Oc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000082190203 562742533 /nfs/dbraw/zinc/74/25/33/562742533.db2.gz NJXAMPZWYFRQTL-UHFFFAOYSA-N -1 3 646.515 6.830 1 0 KKAFHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084652971 562746686 /nfs/dbraw/zinc/74/66/86/562746686.db2.gz HFKISFKRZSKWAG-IJUWGXTBSA-N -1 3 595.700 5.008 1 0 KKAFHM N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc2ccccc2c1 ZINC000084653218 562746786 /nfs/dbraw/zinc/74/67/86/562746786.db2.gz NYGQCAPKDWNJED-TWJUONSBSA-N -1 3 615.730 6.133 1 0 KKAFHM CCC(CC)Oc1cc(C)c(-c2cc(-c3c[n-]c(=NC(=O)OC)s3)nc(-c3cnccn3)n2)c(C)c1 ZINC000084688107 562749074 /nfs/dbraw/zinc/74/90/74/562749074.db2.gz UNMJHZVVYMTJHP-UHFFFAOYSA-N -1 3 504.616 6.087 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688296 562749137 /nfs/dbraw/zinc/74/91/37/562749137.db2.gz KBEGAMLYWGDXDB-LEWJYISDSA-N -1 3 553.389 6.863 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000084689650 562749368 /nfs/dbraw/zinc/74/93/68/562749368.db2.gz NLDNWZLFIYLVPW-RTWAWAEBSA-N -1 3 553.389 6.863 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000084689654 562749396 /nfs/dbraw/zinc/74/93/96/562749396.db2.gz NLDNWZLFIYLVPW-SFTDATJTSA-N -1 3 553.389 6.863 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cccc(Cl)c2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690628 562749713 /nfs/dbraw/zinc/74/97/13/562749713.db2.gz FALALMAPVFZVGJ-LEWJYISDSA-N -1 3 519.837 6.498 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Br)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690633 562749730 /nfs/dbraw/zinc/74/97/30/562749730.db2.gz MEGSHHRTRATOHX-SFTDATJTSA-N -1 3 564.288 6.607 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@@H]1c1ccc(OC)cc1 ZINC000084742226 562752237 /nfs/dbraw/zinc/75/22/37/562752237.db2.gz JYOIWJYTIQLODF-FCHUYYIVSA-N -1 3 515.418 5.853 1 0 KKAFHM CC(C)C#C[C@H](c1ccc(C2(C(F)(F)F)N=N2)cc1)N1CC[C@H](CC(=O)[O-])C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000095552956 562760837 /nfs/dbraw/zinc/76/08/37/562760837.db2.gz CTIXSYGGXMDSBQ-NTUVXCKYSA-N -1 3 551.531 7.515 1 0 KKAFHM CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)/C=C(/C)C(=O)[O-] ZINC000095554515 562761341 /nfs/dbraw/zinc/76/13/41/562761341.db2.gz HBBITWMHWVZIEH-ZDHOQNNXSA-N -1 3 592.733 5.213 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cn2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559216 562762645 /nfs/dbraw/zinc/76/26/45/562762645.db2.gz UQWKHTPMYQJVST-DWXRJYCRSA-N -1 3 500.536 6.916 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560474 562763068 /nfs/dbraw/zinc/76/30/68/562763068.db2.gz DUXONYIBZGWJQJ-UZTOHYMASA-N -1 3 516.003 8.035 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561167 562763285 /nfs/dbraw/zinc/76/32/85/562763285.db2.gz QCZYXTWOIPNMDB-HFJWLAOPSA-N -1 3 500.536 6.036 1 0 KKAFHM CC(C)C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563562 562764036 /nfs/dbraw/zinc/76/40/36/562764036.db2.gz HSAYCIOPIGXEKQ-VMPREFPWSA-N -1 3 527.602 8.301 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095566440 562765035 /nfs/dbraw/zinc/76/50/35/562765035.db2.gz ILRCCMQCDZZMAZ-ZLEIESQFSA-N -1 3 706.265 5.327 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@@H](C)CO)C3=O)cc1 ZINC000095568466 562766670 /nfs/dbraw/zinc/76/66/70/562766670.db2.gz VFUMNYRTPAPJFI-SBCJZHDBSA-N -1 3 627.807 5.815 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095569096 562767151 /nfs/dbraw/zinc/76/71/51/562767151.db2.gz ZETMRDHMCISLLD-VBEKBXFHSA-N -1 3 764.864 6.474 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095570028 562767883 /nfs/dbraw/zinc/76/78/83/562767883.db2.gz HEPUKTRJNLXBPT-XUJRGEPCSA-N -1 3 673.832 5.569 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095570123 562767987 /nfs/dbraw/zinc/76/79/87/562767987.db2.gz GQPLODGYDYCVNT-KSWJDTNCSA-N -1 3 650.625 5.084 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570767 562768505 /nfs/dbraw/zinc/76/85/05/562768505.db2.gz KHFPDWFEACXBKS-SFXKCFQESA-N -1 3 678.251 6.214 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095570914 562768621 /nfs/dbraw/zinc/76/86/21/562768621.db2.gz WVAVZXUUZRXWFN-XIWHWFKQSA-N -1 3 613.780 5.507 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1NC1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574460 562769983 /nfs/dbraw/zinc/76/99/83/562769983.db2.gz NWWQXXBHOPDTHY-SWKXRBFHSA-N -1 3 530.588 5.022 1 0 KKAFHM COC(=O)[C@H](CN(C)C)N(C)C(=O)c1c(C)cc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095578661 562771366 /nfs/dbraw/zinc/77/13/66/562771366.db2.gz MGAPNBLQWMRDMU-SANMLTNESA-N -1 3 586.154 5.217 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095579884 562771725 /nfs/dbraw/zinc/77/17/25/562771725.db2.gz SABXAYNLEVUPEM-KRWDZBQOSA-N -1 3 624.632 5.269 1 0 KKAFHM CCc1nc2ccn(Cc3cccc(C(F)(F)F)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095583000 562772798 /nfs/dbraw/zinc/77/27/98/562772798.db2.gz YUIAYRGCSUGVPK-MHZLTWQESA-N -1 3 581.602 6.210 1 0 KKAFHM CCc1nc2ccn(Cc3cccc(C(F)(F)F)c3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095583000 562772799 /nfs/dbraw/zinc/77/27/99/562772799.db2.gz YUIAYRGCSUGVPK-MHZLTWQESA-N -1 3 581.602 6.210 1 0 KKAFHM O=c1oc2ccccc2cc1-c1csc(N2N=C(c3ccc(Br)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000095589160 562774905 /nfs/dbraw/zinc/77/49/05/562774905.db2.gz ZBBPXLARQDSXFY-OAQYLSRUSA-N -1 3 536.329 5.544 1 0 KKAFHM O=c1oc2ccc(Cl)cc2cc1-c1csc(N2N=C(c3ccc(Cl)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000095592679 562776008 /nfs/dbraw/zinc/77/60/08/562776008.db2.gz DEJHIJOHKUOGGO-OAQYLSRUSA-N -1 3 526.323 6.089 1 0 KKAFHM COc1ccc(C(OCCN2C[C@](O)(c3ccc(OC)cc3)C[C@@H]2CC(=O)[O-])(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095595043 562776631 /nfs/dbraw/zinc/77/66/31/562776631.db2.gz FADFTISNLYTMHU-ARPOTICCSA-N -1 3 627.734 5.466 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598773 562777531 /nfs/dbraw/zinc/77/75/31/562777531.db2.gz ORTMWWQHMCADOR-YDLQOJJBSA-N -1 3 741.178 7.375 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599196 562777823 /nfs/dbraw/zinc/77/78/23/562777823.db2.gz UIKXZKCHSBRXDR-WYOWBBOASA-N -1 3 705.840 6.434 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599418 562778072 /nfs/dbraw/zinc/77/80/72/562778072.db2.gz ZBBNPLMVFVREHD-WMVXZGOPSA-N -1 3 719.867 6.742 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599522 562778134 /nfs/dbraw/zinc/77/81/34/562778134.db2.gz UQRVVYXDOOLUAO-FXKJGQKXSA-N -1 3 723.830 6.573 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599630 562778233 /nfs/dbraw/zinc/77/82/33/562778233.db2.gz LFZLAWVTNRSJHJ-PUNARZIMSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599842 562778374 /nfs/dbraw/zinc/77/83/74/562778374.db2.gz LGFCYAUQAJYOOY-GTEDWBNGSA-N -1 3 711.869 6.495 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600275 562778762 /nfs/dbraw/zinc/77/87/62/562778762.db2.gz ZBBNPLMVFVREHD-BGNUVLEZSA-N -1 3 719.867 6.742 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095600949 562779384 /nfs/dbraw/zinc/77/93/84/562779384.db2.gz KHFPDWFEACXBKS-XLCATFGMSA-N -1 3 678.251 6.214 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095602718 562780212 /nfs/dbraw/zinc/78/02/12/562780212.db2.gz ZETMRDHMCISLLD-GAQVVXLESA-N -1 3 764.864 6.474 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095604341 562781014 /nfs/dbraw/zinc/78/10/14/562781014.db2.gz MLNWPGCJBNVZPL-KECSPFHLSA-N -1 3 706.265 5.327 1 0 KKAFHM O=C(Cc1cc(I)c(Oc2ccc([O-])c(I)c2)c(I)c1)Nc1ccccc1 ZINC000095604483 562781042 /nfs/dbraw/zinc/78/10/42/562781042.db2.gz GYPMSSMEVFLXNG-UHFFFAOYSA-N -1 3 697.048 6.180 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095605105 562781384 /nfs/dbraw/zinc/78/13/84/562781384.db2.gz ORTMWWQHMCADOR-ZHBPACGQSA-N -1 3 741.178 7.375 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095605381 562781550 /nfs/dbraw/zinc/78/15/50/562781550.db2.gz QMCFBRPLMVFDBX-IUVSGJEMSA-N -1 3 740.285 7.087 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095605476 562781576 /nfs/dbraw/zinc/78/15/76/562781576.db2.gz ZBBNPLMVFVREHD-UGDHZGHBSA-N -1 3 719.867 6.742 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc4ccccc42)OCCCC[C@H](C)O3)cc1 ZINC000095755730 562788941 /nfs/dbraw/zinc/78/89/41/562788941.db2.gz USSUINMNPXSLJL-YYVZYSLYSA-N -1 3 730.928 6.908 1 0 KKAFHM CCCc1c(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=O)n(C2CCC3(CC2)OC(C)(C)C(C)(C)O3)c2ncnn21 ZINC000096178284 562792624 /nfs/dbraw/zinc/79/26/24/562792624.db2.gz QMZXPLFRIAZTAV-UHFFFAOYSA-N -1 3 608.747 5.697 1 0 KKAFHM CCCc1c(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=O)n(C2CCC3(CC2)OC(C)(C)C(C)(C)O3)c2ncnn21 ZINC000096178284 562792625 /nfs/dbraw/zinc/79/26/25/562792625.db2.gz QMZXPLFRIAZTAV-UHFFFAOYSA-N -1 3 608.747 5.697 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270936 562793513 /nfs/dbraw/zinc/79/35/13/562793513.db2.gz OKJQXZCVFGJZPN-HNNXBMFYSA-N -1 3 545.599 5.379 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270937 562793523 /nfs/dbraw/zinc/79/35/23/562793523.db2.gz OKJQXZCVFGJZPN-OAHLLOKOSA-N -1 3 545.599 5.379 1 0 KKAFHM Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)[O-])cc3)C[C@H]2c2ccccc2)CC1 ZINC000096285383 562795599 /nfs/dbraw/zinc/79/55/99/562795599.db2.gz KDKOAYRCXAQUFY-BTYSJIOQSA-N -1 3 618.178 5.702 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1S[C@H]1CCCC[C@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286076 562795981 /nfs/dbraw/zinc/79/59/81/562795981.db2.gz JXVCKHKRYPJWMM-SIFCLUCFSA-N -1 3 547.640 5.702 1 0 KKAFHM Cc1ccc(CSc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096286066 562796022 /nfs/dbraw/zinc/79/60/22/562796022.db2.gz XWUWTUFRVZQVGH-INIZCTEOSA-N -1 3 555.619 5.632 1 0 KKAFHM CC(C)CCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286102 562796040 /nfs/dbraw/zinc/79/60/40/562796040.db2.gz CPXMQOGFICWLSN-AWEZNQCLSA-N -1 3 521.602 5.169 1 0 KKAFHM CCCCCCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286104 562796042 /nfs/dbraw/zinc/79/60/42/562796042.db2.gz FMHSPGIJDFZMJT-HNNXBMFYSA-N -1 3 535.629 5.703 1 0 KKAFHM COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C[C@@H]4C(=O)c5c([O-])c6c(c(CC=C(C)C)c5O[C@@]341)OC(C)(C)C=C6)C2=O ZINC000096902458 562797408 /nfs/dbraw/zinc/79/74/08/562797408.db2.gz JTEQWNATEJGXHW-ZBKZHLKWSA-N -1 3 576.686 5.681 1 0 KKAFHM Cc1ccc([O-])c(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2Cl)c1 ZINC000096909592 562799629 /nfs/dbraw/zinc/79/96/29/562799629.db2.gz NWFSVUQPLAQTLG-HFZDXXHNSA-N -1 3 538.088 5.817 1 0 KKAFHM COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)cc(F)cc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910307 562799956 /nfs/dbraw/zinc/79/99/56/562799956.db2.gz VMQWWHFCRDWYKY-HYFKYTBRSA-N -1 3 528.571 5.443 1 0 KKAFHM COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)cccc5Cl)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910303 562799969 /nfs/dbraw/zinc/79/99/69/562799969.db2.gz ZMYBZNHLXOYRKJ-AAWLLVPVSA-N -1 3 527.036 5.818 1 0 KKAFHM CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)[C@]2(CCc3cc([O-])c(-c4cnn(C)c4)cc32)C1=O ZINC000096922343 562801799 /nfs/dbraw/zinc/80/17/99/562801799.db2.gz IJOQVRAAKQSXLL-LJAQVGFWSA-N -1 3 546.549 5.727 1 0 KKAFHM O=c1[n-]cnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O ZINC000096928955 562802977 /nfs/dbraw/zinc/80/29/77/562802977.db2.gz MUGGLEKABKZTPD-QQJAHVSNSA-N -1 3 752.871 7.764 1 0 KKAFHM Cc1ccc2nc(SCC(=O)[N-]N3C(=O)c4c(c(Br)c(Br)c(Br)c4Br)C3=O)n(Cc3ccccc3)c(=O)c2c1 ZINC000098082596 562805306 /nfs/dbraw/zinc/80/53/06/562805306.db2.gz GKGFHICCAHYQSN-UHFFFAOYSA-N -1 3 800.121 6.223 1 0 KKAFHM Cc1ccc2nc(SCC(=O)[N-]N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)n(-c3ccccc3)c(=O)c2c1 ZINC000098084858 562805739 /nfs/dbraw/zinc/80/57/39/562805739.db2.gz JZDFVNUBVPERSF-UHFFFAOYSA-N -1 3 608.290 5.727 1 0 KKAFHM CO[P@](=O)(Cc1c(C(C)C)cccc1C(C)C)[N-]C(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000100815036 562808047 /nfs/dbraw/zinc/80/80/47/562808047.db2.gz KMWGEPFAEYOCPZ-PSXMRANNSA-N -1 3 513.703 9.002 1 0 KKAFHM CO[P@]([O-])(Cc1c(C(C)C)cccc1C(C)C)=NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000100815036 562808046 /nfs/dbraw/zinc/80/80/46/562808046.db2.gz KMWGEPFAEYOCPZ-PSXMRANNSA-N -1 3 513.703 9.002 1 0 KKAFHM CC[C@@H](Nc1c(=O)c(=O)c1Nc1cccc(C(=O)N(C)C)c1[O-])c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000101124326 562809330 /nfs/dbraw/zinc/80/93/30/562809330.db2.gz SOFYZCVOUACVKD-QGZVFWFLSA-N -1 3 527.499 5.276 1 0 KKAFHM CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000101127775 562809372 /nfs/dbraw/zinc/80/93/72/562809372.db2.gz KAHFZGUOPFFVHW-MEMLXQNLSA-N -1 3 526.530 5.192 1 0 KKAFHM CCCCc1nnc(SCc2cccc(OC)c2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214479 562816908 /nfs/dbraw/zinc/81/69/08/562816908.db2.gz IQBXYQXXNQKXNG-UHFFFAOYSA-N -1 3 554.680 5.402 1 0 KKAFHM CCCCc1nnc(SCc2cccc(OC)c2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214479 562816909 /nfs/dbraw/zinc/81/69/09/562816909.db2.gz IQBXYQXXNQKXNG-UHFFFAOYSA-N -1 3 554.680 5.402 1 0 KKAFHM CCCCc1nnc(SCC2CCCCC2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103214355 562816938 /nfs/dbraw/zinc/81/69/38/562816938.db2.gz HAKRBCGWYVDRSE-UHFFFAOYSA-N -1 3 530.702 5.774 1 0 KKAFHM CCCCc1nnc(SCC2CCCCC2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103214355 562816939 /nfs/dbraw/zinc/81/69/39/562816939.db2.gz HAKRBCGWYVDRSE-UHFFFAOYSA-N -1 3 530.702 5.774 1 0 KKAFHM CCCc1nn2ccc(-c3nc4ccccc4n3CCC)cc2c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103263772 562821780 /nfs/dbraw/zinc/82/17/80/562821780.db2.gz QQDQFMDOSNUTKL-UHFFFAOYSA-N -1 3 552.686 7.151 1 0 KKAFHM CCCc1nn2ccc(-c3nc4ccccc4n3CCC)cc2c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103263772 562821781 /nfs/dbraw/zinc/82/17/81/562821781.db2.gz QQDQFMDOSNUTKL-UHFFFAOYSA-N -1 3 552.686 7.151 1 0 KKAFHM CCCc1nn2ccc(C(=O)N[C@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103263781 562821814 /nfs/dbraw/zinc/82/18/14/562821814.db2.gz NYTRIMDNZMDDMC-SSEXGKCCSA-N -1 3 555.686 6.606 1 0 KKAFHM CCCc1nn2ccc(C(=O)N[C@H](CC)c3ccccc3)cc2c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103263781 562821815 /nfs/dbraw/zinc/82/18/15/562821815.db2.gz NYTRIMDNZMDDMC-SSEXGKCCSA-N -1 3 555.686 6.606 1 0 KKAFHM O=S(=O)([N-]c1nccs1)c1ccc(NCCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103277778 562823323 /nfs/dbraw/zinc/82/33/23/562823323.db2.gz GSBMKWHUKWHKQB-MUUNZHRXSA-N -1 3 582.195 5.807 1 0 KKAFHM CC(=O)[N-]C1=NN(C(C)=O)C2(C[C@@H](c3ccc(Cl)cc3)N(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)S1 ZINC000103280154 562823457 /nfs/dbraw/zinc/82/34/57/562823457.db2.gz PUVNQFBXLHHXSF-VXKWHMMOSA-N -1 3 519.454 5.117 1 0 KKAFHM C[C@H](C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000113489102 562826581 /nfs/dbraw/zinc/82/65/81/562826581.db2.gz IWTGCQCBARJVGY-SFHVURJKSA-N -1 3 528.694 5.398 1 0 KKAFHM CN(C)CCOc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)cn1 ZINC000114035725 562827007 /nfs/dbraw/zinc/82/70/07/562827007.db2.gz TYKCYPCKPKEYLK-UHFFFAOYSA-N -1 3 520.992 6.072 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN(C)C)cn4)c3c2)cc(Cl)c1[O-] ZINC000114036197 562827026 /nfs/dbraw/zinc/82/70/26/562827026.db2.gz PJXKNGRBOTXYTC-UHFFFAOYSA-N -1 3 503.002 6.062 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114355672 562828113 /nfs/dbraw/zinc/82/81/13/562828113.db2.gz KKHVNUWBIYHFEO-UHFFFAOYSA-N -1 3 548.611 5.980 1 0 KKAFHM CC(C)c1cc(-c2nnc(NC(=O)c3ccc(F)c(F)c3)n2-c2ccc3c(ccn3C)c2)c([O-])cc1O ZINC000115811538 562829116 /nfs/dbraw/zinc/82/91/16/562829116.db2.gz VUTVILJHSCSIII-UHFFFAOYSA-N -1 3 503.509 5.491 1 0 KKAFHM C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)[O-])CC4)no2)cc1C(F)(F)F ZINC000118855173 562830752 /nfs/dbraw/zinc/83/07/52/562830752.db2.gz PZQFUZZCRSCJMG-QGZVFWFLSA-N -1 3 514.548 5.634 1 0 KKAFHM Cc1cccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000138625967 562832089 /nfs/dbraw/zinc/83/20/89/562832089.db2.gz USRLUSYJJVHIKR-AREMUKBSSA-N -1 3 609.711 6.793 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccccc2)cc1F ZINC000138722331 562832133 /nfs/dbraw/zinc/83/21/33/562832133.db2.gz BRNKWEOOMIDNEM-RUZDIDTESA-N -1 3 595.684 6.484 1 0 KKAFHM CC(C)N1CC[C@@H](N(C)C(=O)Cn2c3cc(C(=O)[O-])sc3c(C3CCCCC3)c2-c2ccccc2)C1 ZINC000141680750 562833690 /nfs/dbraw/zinc/83/36/90/562833690.db2.gz RYYUKEJROBXCFE-JOCHJYFZSA-N -1 3 507.700 6.057 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cc(C)cs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142846976 562834335 /nfs/dbraw/zinc/83/43/35/562834335.db2.gz DSWFZZGDYFLCAR-DHLKQENFSA-N -1 3 597.586 6.108 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143195771 562834722 /nfs/dbraw/zinc/83/47/22/562834722.db2.gz XRQGFFRGXFLCEX-URXFXBBRSA-N -1 3 583.559 5.799 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143195573 562834725 /nfs/dbraw/zinc/83/47/25/562834725.db2.gz XRQGFFRGXFLCEX-XUZZJYLKSA-N -1 3 583.559 5.799 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-c2ccc(F)nc2)cc1C ZINC000144507568 562836257 /nfs/dbraw/zinc/83/62/57/562836257.db2.gz KDOVQDMRMPUHOM-UHFFFAOYSA-N -1 3 519.573 5.284 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cn(-c5ccc(F)cc5)nc4-c4ccc(F)cc4)CC3)OC2=O)cc1 ZINC000144519443 562836317 /nfs/dbraw/zinc/83/63/17/562836317.db2.gz FPEAOHVIXSTOGM-UHFFFAOYSA-N -1 3 544.558 5.507 1 0 KKAFHM CCCCCCc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145860498 562837648 /nfs/dbraw/zinc/83/76/48/562837648.db2.gz QPTPIQFMSSSTLB-OAHLLOKOSA-N -1 3 503.562 5.154 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145869226 562837721 /nfs/dbraw/zinc/83/77/21/562837721.db2.gz DCJSHGMLIUPDKF-YCABEKBOSA-N -1 3 527.584 5.624 1 0 KKAFHM [O-]c1cc(CC(F)(F)F)c(-c2ccc3c(c2)[nH]nc3-c2nc3c([nH]2)CN(Cc2ccccc2)CC3)cc1F ZINC000146250056 562838365 /nfs/dbraw/zinc/83/83/65/562838365.db2.gz JBVDUANFDSHNRN-UHFFFAOYSA-N -1 3 521.518 6.128 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146243678 562838384 /nfs/dbraw/zinc/83/83/84/562838384.db2.gz AQYAINZBOFTOFJ-CYBMUJFWSA-N -1 3 529.943 5.351 1 0 KKAFHM CN1CC=C(c2cc(Cl)cc(F)c2-c2cccc3c2CCN(S(=O)(=O)N=c2[n-]cc(F)s2)C3)CC1 ZINC000146987195 562838984 /nfs/dbraw/zinc/83/89/84/562838984.db2.gz VCEBSQCVPRYCRI-UHFFFAOYSA-N -1 3 537.057 5.176 1 0 KKAFHM COc1nc(-c2cc(C(=O)N3CCC(F)(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)n[n-]1 ZINC000150297055 562843069 /nfs/dbraw/zinc/84/30/69/562843069.db2.gz KJWKNVARSCWKGF-UHFFFAOYSA-N -1 3 516.539 6.176 1 0 KKAFHM COc1n[n-]c(-c2cc(C(=O)N3CCC(F)(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)n1 ZINC000150297055 562843070 /nfs/dbraw/zinc/84/30/70/562843070.db2.gz KJWKNVARSCWKGF-UHFFFAOYSA-N -1 3 516.539 6.176 1 0 KKAFHM CN(C)c1nc(NC[C@H]2CC[C@@H](C[N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000168767911 562851537 /nfs/dbraw/zinc/85/15/37/562851537.db2.gz NWUCPBLQECHRFK-QAQDUYKDSA-N -1 3 616.504 5.554 1 0 in-vivo KKAFHM COc1ccc(Br)cc1[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@]2(C(=O)[O-])C[C@@H](OCc3ccccc3)CN12 ZINC000169294577 562852249 /nfs/dbraw/zinc/85/22/49/562852249.db2.gz SRFYAYKBKLOOMX-CEJQJFTBSA-N -1 3 670.354 5.195 1 0 KKAFHM COc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc1 ZINC000169339723 562860459 /nfs/dbraw/zinc/86/04/59/562860459.db2.gz ZIXQMKJJFGXLGE-WJOKGBTCSA-N -1 3 599.782 5.470 1 0 KKAFHM COc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc1OC ZINC000169339701 562860466 /nfs/dbraw/zinc/86/04/66/562860466.db2.gz FAIYYEPILNPQNK-SSEXGKCCSA-N -1 3 613.740 5.314 1 0 KKAFHM COc1cc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339708 562860481 /nfs/dbraw/zinc/86/04/81/562860481.db2.gz GSDVAVAVINCODP-SSEXGKCCSA-N -1 3 643.766 5.322 1 0 KKAFHM COc1cc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339730 562860510 /nfs/dbraw/zinc/86/05/10/562860510.db2.gz RSHUKIXSTVOUEV-PMERELPUSA-N -1 3 659.834 5.487 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc([N-]S(=O)(=O)c2ccc(-c3ccsc3)cc2)cc1F ZINC000169345210 562861548 /nfs/dbraw/zinc/86/15/48/562861548.db2.gz OYZHDWUFYBWZDO-UHFFFAOYSA-N -1 3 662.809 6.720 1 0 KKAFHM Cc1ccc(-c2csc([N-]c3cc(-c4ccc(C)cc4)n(-c4nc(-c5ccc(C)cc5)cs4)n3)n2)cc1 ZINC000169350093 562862773 /nfs/dbraw/zinc/86/27/73/562862773.db2.gz PNSQYECKWXMZNN-UHFFFAOYSA-N -1 3 519.699 8.455 1 0 KKAFHM COCCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696402 562866006 /nfs/dbraw/zinc/86/60/06/562866006.db2.gz UASMMMRYYVQTHF-IZLXSDGUSA-N -1 3 546.689 5.330 1 0 KKAFHM COCCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696404 562866032 /nfs/dbraw/zinc/86/60/32/562866032.db2.gz UASMMMRYYVQTHF-NSOVKSMOSA-N -1 3 546.689 5.330 1 0 KKAFHM O=C([N-]c1nnc(CCSCCc2nnc(NC(=O)c3cc4ccccc4o3)s2)s1)c1cc2ccccc2o1 ZINC000169698020 562866803 /nfs/dbraw/zinc/86/68/03/562866803.db2.gz MLMNKLIKAOERTN-UHFFFAOYSA-N -1 3 576.685 5.905 1 0 KKAFHM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(-c5nnn[n-]5)ccc43)s2)c1 ZINC000169704401 562868976 /nfs/dbraw/zinc/86/89/76/562868976.db2.gz LTQRMWRBFPARCM-RUZDIDTESA-N -1 3 550.570 5.423 1 0 KKAFHM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@@]3(O)CCCc4cc(-c5nn[n-]n5)ccc43)s2)c1 ZINC000169704401 562868977 /nfs/dbraw/zinc/86/89/77/562868977.db2.gz LTQRMWRBFPARCM-RUZDIDTESA-N -1 3 550.570 5.423 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202732540 562873840 /nfs/dbraw/zinc/87/38/40/562873840.db2.gz OMTUXUVKGKMPLB-GOTSBHOMSA-N -1 3 583.559 5.799 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3sc(C)nc3C)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202734457 562873875 /nfs/dbraw/zinc/87/38/75/562873875.db2.gz FJGOMCDEKDTUKN-LOSJGSFVSA-N -1 3 578.156 5.158 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3sc(C)nc3C)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202734474 562873878 /nfs/dbraw/zinc/87/38/78/562873878.db2.gz FJGOMCDEKDTUKN-DQEYMECFSA-N -1 3 578.156 5.158 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000202735047 562873889 /nfs/dbraw/zinc/87/38/89/562873889.db2.gz DDMZLHLLAGGIKH-LADGPHEKSA-N -1 3 583.559 5.799 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3sc(C)nc3C)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202734494 562873897 /nfs/dbraw/zinc/87/38/97/562873897.db2.gz FJGOMCDEKDTUKN-JWQCQUIFSA-N -1 3 578.156 5.158 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(CN5CCOCC5)CC4)c3c2)cc(Cl)c1[O-] ZINC000203798334 562874134 /nfs/dbraw/zinc/87/41/34/562874134.db2.gz ZVYDGTFRONPMDP-UHFFFAOYSA-N -1 3 536.072 5.411 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(Cn5ccnc5)cc4)c3c2)cc(Cl)c1[O-] ZINC000203988768 562874285 /nfs/dbraw/zinc/87/42/85/562874285.db2.gz HFIRJBLPXDARCG-UHFFFAOYSA-N -1 3 525.008 6.851 1 0 KKAFHM O=C(c1cnc2cc(F)c(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1)C1CC1 ZINC000203989544 562874316 /nfs/dbraw/zinc/87/43/16/562874316.db2.gz UEKHQJCIOOAHBZ-UHFFFAOYSA-N -1 3 552.437 6.194 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@@H](CO)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000207906352 562876807 /nfs/dbraw/zinc/87/68/07/562876807.db2.gz VWNGTTNKRUNTFF-LJAQVGFWSA-N -1 3 571.685 5.656 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@@H](CO)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000207906352 562876808 /nfs/dbraw/zinc/87/68/08/562876808.db2.gz VWNGTTNKRUNTFF-LJAQVGFWSA-N -1 3 571.685 5.656 1 0 KKAFHM Cc1ccc(N2C(=O)[C@H](CCCNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@H]2c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000213960341 562877288 /nfs/dbraw/zinc/87/72/88/562877288.db2.gz HDHUVJBMSIQOHY-FIRIVFDPSA-N -1 3 687.762 6.466 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@H](C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299831432 562885580 /nfs/dbraw/zinc/88/55/80/562885580.db2.gz BRNKHWSYACFKQC-UZLBHIALSA-N -1 3 555.638 6.261 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834840 562886587 /nfs/dbraw/zinc/88/65/87/562886587.db2.gz UZBSYJQUNMXCCN-HNNXBMFYSA-N -1 3 529.600 5.715 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1[C@H]1CC[C@@H](C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834908 562886651 /nfs/dbraw/zinc/88/66/51/562886651.db2.gz WACMEXRQSXAUTA-ABSDTBQOSA-N -1 3 557.654 6.351 1 0 KKAFHM O=S(=O)([N-]c1cc(-c2cc3c(ncnc3-c3ccncc3)s2)cnc1Cl)c1ccc(F)cc1F ZINC000473120550 562899354 /nfs/dbraw/zinc/89/93/54/562899354.db2.gz OGUIPHCQISNMKY-UHFFFAOYSA-N -1 3 515.954 5.548 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3[N-]S(=O)(=O)c3ccc(C)cc3)cc1)CC2 ZINC000473137261 562901159 /nfs/dbraw/zinc/90/11/59/562901159.db2.gz XOPAKEOAECZGSG-UHFFFAOYSA-N -1 3 645.778 5.683 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(Cc2cccc(F)c2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473152638 562901855 /nfs/dbraw/zinc/90/18/55/562901855.db2.gz UQUDUASSLXPSAN-IBGZPJMESA-N -1 3 609.661 6.234 1 0 KKAFHM CCCCCSc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473155128 562902378 /nfs/dbraw/zinc/90/23/78/562902378.db2.gz PDCSEXQVWIDYNE-HNNXBMFYSA-N -1 3 520.614 5.918 1 0 KKAFHM CCCCCSc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473155129 562902393 /nfs/dbraw/zinc/90/23/93/562902393.db2.gz PDCSEXQVWIDYNE-OAHLLOKOSA-N -1 3 520.614 5.918 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccco1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473156017 562902442 /nfs/dbraw/zinc/90/24/42/562902442.db2.gz SGEDUZSJFQPDGW-CQSZACIVSA-N -1 3 530.565 5.521 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473156156 562902455 /nfs/dbraw/zinc/90/24/55/562902455.db2.gz STBGZBZTNDOOCG-INIZCTEOSA-N -1 3 540.604 5.928 1 0 KKAFHM CCCCCCSc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473156108 562902459 /nfs/dbraw/zinc/90/24/59/562902459.db2.gz SMFAQDNMOWGBSL-INIZCTEOSA-N -1 3 534.641 6.308 1 0 KKAFHM Cc1cc2ccccc2nc1-c1ccc(N(Cc2ccc(OCCN3CCOCC3)cc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653686453 562906491 /nfs/dbraw/zinc/90/64/91/562906491.db2.gz ILJPMSMIWVQVPA-UHFFFAOYSA-N -1 3 589.692 6.179 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653700712 562907361 /nfs/dbraw/zinc/90/73/61/562907361.db2.gz LMGBEANZPFGKMP-IBGZPJMESA-N -1 3 699.148 6.080 1 0 KKAFHM Cc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000653700693 562907370 /nfs/dbraw/zinc/90/73/70/562907370.db2.gz FBJLCAQHSGXDHX-OAQYLSRUSA-N -1 3 678.730 5.735 1 0 KKAFHM COc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000653700698 562907394 /nfs/dbraw/zinc/90/73/94/562907394.db2.gz HSFMUBAUTKMLLS-FQEVSTJZSA-N -1 3 694.729 5.435 1 0 KKAFHM CSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653757079 562910980 /nfs/dbraw/zinc/91/09/80/562910980.db2.gz IBZARWXGSLQAJM-QFIPXVFZSA-N -1 3 573.726 6.496 1 0 KKAFHM CSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653757079 562910981 /nfs/dbraw/zinc/91/09/81/562910981.db2.gz IBZARWXGSLQAJM-QFIPXVFZSA-N -1 3 573.726 6.496 1 0 KKAFHM O=C(NCCCCNC(=S)NCCC(c1ccccc1)c1ccccc1)c1coc(-c2ccccc2[O-])n1 ZINC000653757221 562911023 /nfs/dbraw/zinc/91/10/23/562911023.db2.gz XHSNRIVRJQBVTK-UHFFFAOYSA-N -1 3 528.678 5.244 1 0 KKAFHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 ZINC000653782703 562912205 /nfs/dbraw/zinc/91/22/05/562912205.db2.gz AXSXIRVCEMNWEV-UHFFFAOYSA-N -1 3 543.714 6.624 1 0 KKAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@@H](O)CSc4ncn(Cc5ccc(Cl)cc5Cl)n4)C3)c(F)cc2c1=O ZINC000653782558 562912230 /nfs/dbraw/zinc/91/22/30/562912230.db2.gz DKZOSCSWYWCMRH-PKOBYXMFSA-N -1 3 682.005 5.095 1 0 KKAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@H](O)CSc4ncn(Cc5ccc(Cl)c(Cl)c5)n4)C3)c(F)cc2c1=O ZINC000653799390 562913247 /nfs/dbraw/zinc/91/32/47/562913247.db2.gz RQUKMCBLMMCRTB-AEFFLSMTSA-N -1 3 682.005 5.095 1 0 KKAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@H](O)CSc4ncn(Cc5ccc(Cl)c(Cl)c5)n4)C3)c(F)cc2c1=O ZINC000653799396 562913252 /nfs/dbraw/zinc/91/32/52/562913252.db2.gz RQUKMCBLMMCRTB-WMZOPIPTSA-N -1 3 682.005 5.095 1 0 KKAFHM Cc1cccc(N(C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000653873028 562916508 /nfs/dbraw/zinc/91/65/08/562916508.db2.gz ZLIFMSDWHKHPMG-UHFFFAOYSA-N -1 3 593.647 6.204 1 0 KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595202 565152967 /nfs/dbraw/zinc/15/29/67/565152967.db2.gz AROOCBLXUFUCLI-GVPAPYLISA-N -1 3 600.668 5.395 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(NCC)nc1 ZINC000085595202 565152971 /nfs/dbraw/zinc/15/29/71/565152971.db2.gz AROOCBLXUFUCLI-GVPAPYLISA-N -1 3 600.668 5.395 1 0 biogenic,in-vitro KKAFHM COc1cc(CCC(=O)C([O-])=C(O)CCC[C@H]2CCC[C@H](CCCO)C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631367 565163645 /nfs/dbraw/zinc/16/36/45/565163645.db2.gz HQUNJNPGHBTCHS-UZHPPJHESA-N -1 3 672.843 5.053 1 0 biogenic,in-vitro KKAFHM CC1(C)CCC[C@]2(C)CC3=C(C[C@@H]12)O[C@@H]1Oc2c4ccc(c2O[C@H]31)Oc1cccc(c1)CCc1ccc([O-])c(c1)Oc1ccc(cc1)CC4 ZINC000095911592 565179680 /nfs/dbraw/zinc/17/96/80/565179680.db2.gz KYZZPEGKTBNRRF-LDOHYZHSSA-N -1 3 656.819 10.237 1 0 biogenic,in-vitro KKAFHM CCCCc1nc2ccc(COc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001538644 561676919 /nfs/dbraw/zinc/67/69/19/561676919.db2.gz JMNRLNBNUQTFNG-UHFFFAOYSA-N -1 3 542.643 6.214 1 0 KKAFHM CCCCc1nc2ccc(COc3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001538644 561676921 /nfs/dbraw/zinc/67/69/21/561676921.db2.gz JMNRLNBNUQTFNG-UHFFFAOYSA-N -1 3 542.643 6.214 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nnn[n-]2)c3S1 ZINC000003922067 561685808 /nfs/dbraw/zinc/68/58/08/561685808.db2.gz ZXTQNTHPGKKAHX-HSZRJFAPSA-N -1 3 635.237 8.345 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nn[n-]n2)c3S1 ZINC000003922067 561685809 /nfs/dbraw/zinc/68/58/09/561685809.db2.gz ZXTQNTHPGKKAHX-HSZRJFAPSA-N -1 3 635.237 8.345 1 0 KKAFHM COc1c2occc2c(OC)c(C(=O)C[C@@H]2c3c(cc4oc(C)cc(=O)c4c3OC)OC(=N)[C@@H]2c2nc3ccccc3[nH]2)c1[O-] ZINC000005543949 561696490 /nfs/dbraw/zinc/69/64/90/561696490.db2.gz RFQPFMXLAHEOKE-VOIUYBSRSA-N -1 3 609.591 5.965 1 0 KKAFHM CSc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc3[n-]c(-c4nc5ccccc5[nH]4)cc(=O)c32)cc1 ZINC000005801209 561698292 /nfs/dbraw/zinc/69/82/92/561698292.db2.gz MDIXNOMRVRRILV-UHFFFAOYSA-N -1 3 500.587 6.811 1 0 KKAFHM COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455708 561713683 /nfs/dbraw/zinc/71/36/83/561713683.db2.gz LCGCRFOPZGGJNQ-QFIPXVFZSA-N -1 3 523.689 7.236 1 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@@H]([N-]S(=O)(=O)c2cccs2)C3)c1-c1ccc(F)cc1 ZINC000013471229 561713960 /nfs/dbraw/zinc/71/39/60/561713960.db2.gz WOKRZDMTEXOXTC-QHCPKHFHSA-N -1 3 506.624 5.561 1 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H]([N-]S(=O)(=O)c2cccs2)C3)c1-c1ccc(Cl)cc1 ZINC000013471255 561713976 /nfs/dbraw/zinc/71/39/76/561713976.db2.gz SCIQVOYRQAZVMN-HSZRJFAPSA-N -1 3 523.079 6.075 1 0 KKAFHM CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1c2ccc(C(=O)[O-])cc2c(C2CCCCC2)c1-c1ccccc1 ZINC000013646622 561722742 /nfs/dbraw/zinc/72/27/42/561722742.db2.gz OOBFRGCZAQWSQO-JOCHJYFZSA-N -1 3 501.671 5.854 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC(CC)CC ZINC000013780883 561729359 /nfs/dbraw/zinc/72/93/59/561729359.db2.gz AMHZRTOQHFYHET-FMGHJNRGSA-N -1 3 502.696 5.529 1 0 KKAFHM C[C@@H](C(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804862 561731305 /nfs/dbraw/zinc/73/13/05/561731305.db2.gz NZBVOMXEUCSRGH-HXUWFJFHSA-N -1 3 514.589 5.567 1 0 KKAFHM C[C@@H](C(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804862 561731307 /nfs/dbraw/zinc/73/13/07/561731307.db2.gz NZBVOMXEUCSRGH-HXUWFJFHSA-N -1 3 514.589 5.567 1 0 KKAFHM CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1C(=O)OC ZINC000013832364 561733511 /nfs/dbraw/zinc/73/35/11/561733511.db2.gz KPAWCUOJJMOTDD-UHFFFAOYSA-N -1 3 523.641 5.569 1 0 KKAFHM CCCc1ccc(C)n1-c1nc(CCC)n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1C(=O)OC ZINC000013832364 561733513 /nfs/dbraw/zinc/73/35/13/561733513.db2.gz KPAWCUOJJMOTDD-UHFFFAOYSA-N -1 3 523.641 5.569 1 0 KKAFHM CCCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832658 561733523 /nfs/dbraw/zinc/73/35/23/561733523.db2.gz KZTAUKJEFUHABC-UHFFFAOYSA-N -1 3 500.006 5.316 1 0 KKAFHM CCCCCc1nn(-c2ccccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832658 561733525 /nfs/dbraw/zinc/73/35/25/561733525.db2.gz KZTAUKJEFUHABC-UHFFFAOYSA-N -1 3 500.006 5.316 1 0 KKAFHM O=C(c1c2ccc(O)cc2sc1-c1ccc([O-])c(Cl)c1)c1ccc(OCCN2CCCCC2)cc1 ZINC000013834316 561734168 /nfs/dbraw/zinc/73/41/68/561734168.db2.gz CMLISELCGZYWIN-UHFFFAOYSA-N -1 3 508.039 6.729 1 0 KKAFHM O=C1OC(c2ccc([O-])c(Br)c2)(c2ccc(O)c(Br)c2)c2ccc(Cl)c3cccc1c32 ZINC000014968902 561750479 /nfs/dbraw/zinc/75/04/79/561750479.db2.gz CCPFSKKLNOUCRR-UHFFFAOYSA-N -1 3 560.625 6.892 1 0 KKAFHM C[C@@H](CNc1ccc(S(C)(=O)=O)cc1)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2cccc(Cl)c2o1 ZINC000014971607 561751198 /nfs/dbraw/zinc/75/11/98/561751198.db2.gz ZLQFJLTZZDELFZ-SBUREZEXSA-N -1 3 533.094 5.252 1 0 KKAFHM CCCC[C@H](NC(=O)O[C@H](Cn1cc(-c2ccc(C(F)(F)F)cc2)cn1)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000014972278 561751498 /nfs/dbraw/zinc/75/14/98/561751498.db2.gz GMHBWGMFTPGDOI-UKILVPOCSA-N -1 3 623.698 5.211 1 0 KKAFHM CCCCN(Cc1ccccc1)C(=O)CCCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026378263 561782801 /nfs/dbraw/zinc/78/28/01/561782801.db2.gz OWMJQHWOCNFKTN-UHFFFAOYSA-N -1 3 647.824 7.059 1 0 KKAFHM CCCCN(Cc1ccccc1)C(=O)CCCOC(=O)c1c(CC)nc(CCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026378263 561782804 /nfs/dbraw/zinc/78/28/04/561782804.db2.gz OWMJQHWOCNFKTN-UHFFFAOYSA-N -1 3 647.824 7.059 1 0 KKAFHM CC(C)(C)C(=O)OC[C@H](Cc1ccc(C(C)(C)C)cc1)CN(O)C(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000026383822 561783849 /nfs/dbraw/zinc/78/38/49/561783849.db2.gz YBPJABXYZLIILW-OAQYLSRUSA-N -1 3 581.776 5.009 1 0 KKAFHM CC(C)(C)C(=O)OC[C@@H](Cc1ccc(C(C)(C)C)cc1)CN(O)C(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000026383824 561783870 /nfs/dbraw/zinc/78/38/70/561783870.db2.gz YBPJABXYZLIILW-NRFANRHFSA-N -1 3 581.776 5.009 1 0 KKAFHM CCCCc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026396842 561787276 /nfs/dbraw/zinc/78/72/76/561787276.db2.gz HKEBLRQPKZYQKZ-UHFFFAOYSA-N -1 3 564.602 5.486 1 0 KKAFHM CCCCc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026396842 561787277 /nfs/dbraw/zinc/78/72/77/561787277.db2.gz HKEBLRQPKZYQKZ-UHFFFAOYSA-N -1 3 564.602 5.486 1 0 KKAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(NCc3ccccn3)n2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000026402819 561788751 /nfs/dbraw/zinc/78/87/51/561788751.db2.gz BZWFRJOKDPMMGX-HELSZXIZSA-N -1 3 614.486 5.092 1 0 KKAFHM CCOC(=O)C1=C(COCc2cc(=O)[n-]c(NCc3ccccn3)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026402824 561788871 /nfs/dbraw/zinc/78/88/71/561788871.db2.gz BZWFRJOKDPMMGX-CZSVHLHGSA-N -1 3 614.486 5.092 1 0 KKAFHM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000026569007 561797614 /nfs/dbraw/zinc/79/76/14/561797614.db2.gz DNDNLFXKQSTINI-WUFINQPMSA-N -1 3 584.721 5.965 1 0 KKAFHM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000026569007 561797617 /nfs/dbraw/zinc/79/76/17/561797617.db2.gz DNDNLFXKQSTINI-WUFINQPMSA-N -1 3 584.721 5.965 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(C)=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579143 561804232 /nfs/dbraw/zinc/80/42/32/561804232.db2.gz FJXQRXSRMPCBGO-PMERELPUSA-N -1 3 557.658 5.614 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(C)=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579143 561804234 /nfs/dbraw/zinc/80/42/34/561804234.db2.gz FJXQRXSRMPCBGO-PMERELPUSA-N -1 3 557.658 5.614 1 0 KKAFHM CCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579752 561805175 /nfs/dbraw/zinc/80/51/75/561805175.db2.gz YMMJJDOWCKHVBZ-PMERELPUSA-N -1 3 587.684 5.587 1 0 KKAFHM CCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579752 561805177 /nfs/dbraw/zinc/80/51/77/561805177.db2.gz YMMJJDOWCKHVBZ-PMERELPUSA-N -1 3 587.684 5.587 1 0 KKAFHM CCCCc1nn(-c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026656984 561809499 /nfs/dbraw/zinc/80/94/99/561809499.db2.gz CIUOFTJZTOKFNH-UHFFFAOYSA-N -1 3 575.500 7.136 1 0 KKAFHM CCCCc1nn(-c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026656984 561809503 /nfs/dbraw/zinc/80/95/03/561809503.db2.gz CIUOFTJZTOKFNH-UHFFFAOYSA-N -1 3 575.500 7.136 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026647591 561807740 /nfs/dbraw/zinc/80/77/40/561807740.db2.gz LMLVMTYTWJVESW-UUWRZZSWSA-N -1 3 619.729 6.908 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026647591 561807742 /nfs/dbraw/zinc/80/77/42/561807742.db2.gz LMLVMTYTWJVESW-UUWRZZSWSA-N -1 3 619.729 6.908 1 0 KKAFHM CCCCc1nn(-c2ccccc2-c2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026658119 561809852 /nfs/dbraw/zinc/80/98/52/561809852.db2.gz OZFBONPAGZIQDC-UHFFFAOYSA-N -1 3 582.708 7.497 1 0 KKAFHM CCCCc1nn(-c2ccccc2-c2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026658119 561809853 /nfs/dbraw/zinc/80/98/53/561809853.db2.gz OZFBONPAGZIQDC-UHFFFAOYSA-N -1 3 582.708 7.497 1 0 KKAFHM O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1cc([O-])ccc1-c1ccccc1 ZINC000026658891 561810020 /nfs/dbraw/zinc/81/00/20/561810020.db2.gz MKRPOUZKVVZDGR-DEOSSOPVSA-N -1 3 554.046 5.826 1 0 KKAFHM CCCCc1nn(-c2cc(Cl)ccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026660326 561810136 /nfs/dbraw/zinc/81/01/36/561810136.db2.gz IHEMKWIKEIESJN-UHFFFAOYSA-N -1 3 575.500 7.136 1 0 KKAFHM CCCCc1nn(-c2cc(Cl)ccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026660326 561810137 /nfs/dbraw/zinc/81/01/37/561810137.db2.gz IHEMKWIKEIESJN-UHFFFAOYSA-N -1 3 575.500 7.136 1 0 KKAFHM C[C@H]1Cc2c3c(ccc2SCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nnn[n-]2)c3S1 ZINC000026674140 561813335 /nfs/dbraw/zinc/81/33/35/561813335.db2.gz BFCKURJEBJHCHO-QHCPKHFHSA-N -1 3 651.305 9.059 1 0 KKAFHM C[C@H]1Cc2c3c(ccc2SCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nn[n-]n2)c3S1 ZINC000026674140 561813337 /nfs/dbraw/zinc/81/33/37/561813337.db2.gz BFCKURJEBJHCHO-QHCPKHFHSA-N -1 3 651.305 9.059 1 0 KKAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)ccc1[O-] ZINC000026825252 561821830 /nfs/dbraw/zinc/82/18/30/561821830.db2.gz GRXKGMFBAMEGTB-UHSQPCAPSA-N -1 3 518.635 5.163 1 0 KKAFHM CCCCc1nc(Cl)c(CO)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000026835953 561824387 /nfs/dbraw/zinc/82/43/87/561824387.db2.gz DQJKDFOOHKXTKN-UHFFFAOYSA-N -1 3 541.837 5.776 1 0 KKAFHM CCCCc1nc(Cl)c(CO)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000026835953 561824389 /nfs/dbraw/zinc/82/43/89/561824389.db2.gz DQJKDFOOHKXTKN-UHFFFAOYSA-N -1 3 541.837 5.776 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000026851450 561827251 /nfs/dbraw/zinc/82/72/51/561827251.db2.gz FVNJXHIXSIJNIX-UHFFFAOYSA-N -1 3 568.863 5.643 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)NC)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000026851450 561827253 /nfs/dbraw/zinc/82/72/53/561827253.db2.gz FVNJXHIXSIJNIX-UHFFFAOYSA-N -1 3 568.863 5.643 1 0 KKAFHM CCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027182325 561842021 /nfs/dbraw/zinc/84/20/21/561842021.db2.gz MDMQYUSFCXORSU-UHFFFAOYSA-N -1 3 561.473 6.746 1 0 KKAFHM CCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027182325 561842023 /nfs/dbraw/zinc/84/20/23/561842023.db2.gz MDMQYUSFCXORSU-UHFFFAOYSA-N -1 3 561.473 6.746 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CCC)cc1 ZINC000027316907 561851720 /nfs/dbraw/zinc/85/17/20/561851720.db2.gz KGXAMRYEVKTKDJ-RKJPZGCHSA-N -1 3 522.686 5.638 1 0 KKAFHM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2C2=N[S@@](=O)N(c3ccccc3Br)[N-]2)cc1 ZINC000027517337 561861045 /nfs/dbraw/zinc/86/10/45/561861045.db2.gz FVEXCKTXRAXNCM-KDXMTYKHSA-N -1 3 599.558 6.438 1 0 KKAFHM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2C2=N[S@](=O)N(c3ccccc3Br)[N-]2)cc1 ZINC000027517335 561861064 /nfs/dbraw/zinc/86/10/64/561861064.db2.gz FVEXCKTXRAXNCM-LDLOPFEMSA-N -1 3 599.558 6.438 1 0 KKAFHM CC[C@@H](c1ccc(I)c([O-])c1)[C@@H](CC)c1ccc(I)c(O)c1 ZINC000027656699 561877652 /nfs/dbraw/zinc/87/76/52/561877652.db2.gz IFDBJFMTCFXUMA-KBPBESRZSA-N -1 3 522.164 5.994 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C2CCCCC2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027712507 561879949 /nfs/dbraw/zinc/87/99/49/561879949.db2.gz QCHIKUDBAALGIC-ZEQRLZLVSA-N -1 3 558.672 6.658 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2oc(=O)oc2-c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027736001 561881807 /nfs/dbraw/zinc/88/18/07/561881807.db2.gz DSWPSNSVVRGXKY-UHFFFAOYSA-N -1 3 590.640 5.864 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2oc(=O)oc2-c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027736001 561881809 /nfs/dbraw/zinc/88/18/09/561881809.db2.gz DSWPSNSVVRGXKY-UHFFFAOYSA-N -1 3 590.640 5.864 1 0 KKAFHM O=C([O-])Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007690 561895777 /nfs/dbraw/zinc/89/57/77/561895777.db2.gz FNYOWVRRUVNPJZ-POTGHWNKSA-N -1 3 598.788 5.487 1 0 KKAFHM O=C([O-])Cn1nc(Cc2ccccc2)cc1C1CCN(C[C@H]2C[N@H+]([C@@H](C(=O)[O-])C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000028007690 561895778 /nfs/dbraw/zinc/89/57/78/561895778.db2.gz FNYOWVRRUVNPJZ-POTGHWNKSA-N -1 3 598.788 5.487 1 0 KKAFHM Cc1ncc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)CCO4)nc2)n1Cc1ccccc1 ZINC000028103829 561902061 /nfs/dbraw/zinc/90/20/61/561902061.db2.gz DSHDAYCKUUJXPF-JGCGQSQUSA-N -1 3 552.638 5.583 1 0 KKAFHM O=C(c1c2ccc(O)cc2sc1-c1ccc(O)cc1)c1ccc(N2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000028123012 561904638 /nfs/dbraw/zinc/90/46/38/561904638.db2.gz CUWFUIFODKWOSV-UHFFFAOYSA-N -1 3 550.636 5.879 1 0 KKAFHM COCCOCO[C@H]([N-]C(=O)C(F)(F)C(=O)[C@@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000028226444 561908177 /nfs/dbraw/zinc/90/81/77/561908177.db2.gz BXZURNHJQXYOGE-MENXEMIHSA-N -1 3 741.829 5.184 1 0 KKAFHM C[C@@]1(C2CCCC2)Cc2cc(OCC(=O)Nc3ccc(-c4nnn[n-]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028339267 561913850 /nfs/dbraw/zinc/91/38/50/561913850.db2.gz RBWXCWNWUNBVQW-DEOSSOPVSA-N -1 3 500.386 5.126 1 0 KKAFHM C[C@@]1(C2CCCC2)Cc2cc(OCC(=O)Nc3ccc(-c4nn[n-]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028339267 561913851 /nfs/dbraw/zinc/91/38/51/561913851.db2.gz RBWXCWNWUNBVQW-DEOSSOPVSA-N -1 3 500.386 5.126 1 0 KKAFHM CN(C)S(=O)(=O)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028365751 561917607 /nfs/dbraw/zinc/91/76/07/561917607.db2.gz FVGAADGODZOIIU-UHFFFAOYSA-N -1 3 570.014 5.942 1 0 KKAFHM CC(=O)N1CCN(CCCC(=O)CSc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])CC1 ZINC000028387457 561921453 /nfs/dbraw/zinc/92/14/53/561921453.db2.gz UGCHPTMRZVEORF-UHFFFAOYSA-N -1 3 582.044 5.178 1 0 KKAFHM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SC[C@H](O)CN1CCSCC1 ZINC000028389154 561921787 /nfs/dbraw/zinc/92/17/87/561921787.db2.gz UGGXSVBEXQDAJA-OAHLLOKOSA-N -1 3 531.021 5.075 1 0 KKAFHM C[C@@H]1CN([C@H](c2ccc(-c3ccccc3C(=O)[O-])cc2)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570203 561938618 /nfs/dbraw/zinc/93/86/18/561938618.db2.gz DSURCNIRDBYQFH-MKVNITDJSA-N -1 3 506.646 6.442 1 0 KKAFHM CS(=O)(=O)[N-]c1nc([C@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702832 561947342 /nfs/dbraw/zinc/94/73/42/561947342.db2.gz LABJUYGFTREJOE-QHCPKHFHSA-N -1 3 648.695 6.222 1 0 KKAFHM COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@@H]4C)ccc3n2Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000028755401 561955504 /nfs/dbraw/zinc/95/55/04/561955504.db2.gz JCBGCQCSVQTAEL-FQEVSTJZSA-N -1 3 568.641 5.467 1 0 KKAFHM COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@@H]4C)ccc3n2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000028755401 561955505 /nfs/dbraw/zinc/95/55/05/561955505.db2.gz JCBGCQCSVQTAEL-FQEVSTJZSA-N -1 3 568.641 5.467 1 0 KKAFHM CCCCc1nc2ccc(OC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028757802 561956953 /nfs/dbraw/zinc/95/69/53/561956953.db2.gz MHLXAMCTPRJWGY-UHFFFAOYSA-N -1 3 537.624 5.131 1 0 KKAFHM CCCCc1nc2ccc(OC(=O)NC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028757802 561956955 /nfs/dbraw/zinc/95/69/55/561956955.db2.gz MHLXAMCTPRJWGY-UHFFFAOYSA-N -1 3 537.624 5.131 1 0 KKAFHM COc1cc(CNC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1[O-] ZINC000028881513 561976905 /nfs/dbraw/zinc/97/69/05/561976905.db2.gz MURCRXUGUQKGCR-FQEVSTJZSA-N -1 3 598.547 5.035 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029404668 562020401 /nfs/dbraw/zinc/02/04/01/562020401.db2.gz QTGXBTZPYCUAQA-JXSYCYSGSA-N -1 3 589.744 6.428 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCC(C)(C)N4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029404668 562020402 /nfs/dbraw/zinc/02/04/02/562020402.db2.gz QTGXBTZPYCUAQA-JXSYCYSGSA-N -1 3 589.744 6.428 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3Br)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029395899 562018521 /nfs/dbraw/zinc/01/85/21/562018521.db2.gz JISXMRPQXRHMKT-UHFFFAOYSA-N -1 3 594.517 6.247 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3Br)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029395899 562018523 /nfs/dbraw/zinc/01/85/23/562018523.db2.gz JISXMRPQXRHMKT-UHFFFAOYSA-N -1 3 594.517 6.247 1 0 KKAFHM CCCCc1nc2ccn(CC(=O)Nc3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029397262 562018961 /nfs/dbraw/zinc/01/89/61/562018961.db2.gz LWEQNZKYCVPCJH-UHFFFAOYSA-N -1 3 558.646 5.075 1 0 KKAFHM CCCCc1nc2ccn(CC(=O)Nc3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029397262 562018963 /nfs/dbraw/zinc/01/89/63/562018963.db2.gz LWEQNZKYCVPCJH-UHFFFAOYSA-N -1 3 558.646 5.075 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029411098 562021712 /nfs/dbraw/zinc/02/17/12/562021712.db2.gz ZGCCRHFHELQNLI-GIGWZHCTSA-N -1 3 547.663 5.475 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029411098 562021713 /nfs/dbraw/zinc/02/17/13/562021713.db2.gz ZGCCRHFHELQNLI-GIGWZHCTSA-N -1 3 547.663 5.475 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C(=O)N4CCCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029412734 562022124 /nfs/dbraw/zinc/02/21/24/562022124.db2.gz TUNPEYHPFDHVPJ-XZJHWRHTSA-N -1 3 658.807 5.642 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C(=O)N4CCCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029412734 562022125 /nfs/dbraw/zinc/02/21/25/562022125.db2.gz TUNPEYHPFDHVPJ-XZJHWRHTSA-N -1 3 658.807 5.642 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4[C@H]5CCC(C)(C)N5O[C@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029486135 562028374 /nfs/dbraw/zinc/02/83/74/562028374.db2.gz FTQMHMPDLSMCCB-DVQPDZHQSA-N -1 3 617.754 6.226 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4[C@H]5CCC(C)(C)N5O[C@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029486135 562028375 /nfs/dbraw/zinc/02/83/75/562028375.db2.gz FTQMHMPDLSMCCB-DVQPDZHQSA-N -1 3 617.754 6.226 1 0 KKAFHM CCCC[C@H](CC)C(=O)[N-]C(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040414009 562075637 /nfs/dbraw/zinc/07/56/37/562075637.db2.gz CRDFGMDEIKJBLH-INIZCTEOSA-N -1 3 506.861 7.281 1 0 KKAFHM O=c1cc(-c2ccc(O)cc2[O-])oc2cc(Oc3ccc4oc(-c5ccc(O)cc5)cc(=O)c4c3)ccc12 ZINC000040875716 562082176 /nfs/dbraw/zinc/08/21/76/562082176.db2.gz CBDANYYDYWOZEH-UHFFFAOYSA-N -1 3 506.466 6.143 1 0 KKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@H]1CC(=O)N(c2cccc3c2CCCC3)C1 ZINC000040568542 562078334 /nfs/dbraw/zinc/07/83/34/562078334.db2.gz LIVUQQISMXOVEV-VWLOTQADSA-N -1 3 502.614 6.597 1 0 KKAFHM O=S1(=O)N=C(c2nc(Cc3ccc(F)cc3)c3ccccc3c2[O-])c2cccc(-c3cccc(O)c3)c21 ZINC000040864306 562081141 /nfs/dbraw/zinc/08/11/41/562081141.db2.gz XPCPDNUZGFLWHM-UHFFFAOYSA-N -1 3 510.546 5.583 1 0 KKAFHM CCC1=C(C)/C(=C/c2ccc(C(=O)Nc3ccc([O-])c(I)c3)cc2)CCC1(C)C ZINC000040864071 562081178 /nfs/dbraw/zinc/08/11/78/562081178.db2.gz IZDHXSBLDPHIFJ-XMHGGMMESA-N -1 3 501.408 7.179 1 0 KKAFHM Cc1cc(S(=O)(=O)[N-]c2nc3cc(Cl)ccc3c(=O)[nH]2)c(SCc2ccccc2)cc1Cl ZINC000040892636 562082887 /nfs/dbraw/zinc/08/28/87/562082887.db2.gz MUPYIXZIYIPMCH-UHFFFAOYSA-N -1 3 506.436 5.631 1 0 KKAFHM Cc1cn(Cc2ccc(Cl)cc2Cl)c2c1cc(F)cc2-c1nnc([N-]C(=O)c2ccc(F)c(F)c2)o1 ZINC000043129963 562646296 /nfs/dbraw/zinc/64/62/96/562646296.db2.gz ZZGSUUJCUMBCJD-UHFFFAOYSA-N -1 3 531.321 7.024 1 0 KKAFHM O=C(NCCN1CCCCC1)c1ccc(Oc2ncc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000043206911 562647086 /nfs/dbraw/zinc/64/70/86/562647086.db2.gz SSUPLUNANJLTQW-UHFFFAOYSA-N -1 3 617.477 6.216 1 0 KKAFHM CC(C)=CCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1Br)O2 ZINC000043532152 562649273 /nfs/dbraw/zinc/64/92/73/562649273.db2.gz OWWIWQGVNYLVNK-FMPTZFRZSA-N -1 3 586.548 7.206 1 0 KKAFHM CC([O-])=CC(=O)[C@@]12O[C@H](c3ccc(Br)o3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C ZINC000044032068 562651771 /nfs/dbraw/zinc/65/17/71/562651771.db2.gz GQNJXTMBJDWKER-CQVVXQTISA-N -1 3 531.443 5.495 1 0 KKAFHM Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nnn[n-]4)cc3)c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)nc2c1 ZINC000044280628 562652915 /nfs/dbraw/zinc/65/29/15/562652915.db2.gz AJDHVQNHDFFNGF-UHFFFAOYSA-N -1 3 585.455 7.074 1 0 KKAFHM Cc1ccc2nc(N(Cc3ccc(C(=O)Nc4nnn[n-]4)cc3)c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)[nH]c2c1 ZINC000044280628 562652916 /nfs/dbraw/zinc/65/29/16/562652916.db2.gz AJDHVQNHDFFNGF-UHFFFAOYSA-N -1 3 585.455 7.074 1 0 KKAFHM Cc1ccc2[nH]c(N(Cc3ccc(C(=O)Nc4nn[n-]n4)cc3)c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)nc2c1 ZINC000044280628 562652917 /nfs/dbraw/zinc/65/29/17/562652917.db2.gz AJDHVQNHDFFNGF-UHFFFAOYSA-N -1 3 585.455 7.074 1 0 KKAFHM Cc1ccc2nc(N(Cc3ccc(C(=O)Nc4nn[n-]n4)cc3)c3ccc(Oc4ccc(Cl)cc4)c(Cl)c3)[nH]c2c1 ZINC000044280628 562652918 /nfs/dbraw/zinc/65/29/18/562652918.db2.gz AJDHVQNHDFFNGF-UHFFFAOYSA-N -1 3 585.455 7.074 1 0 KKAFHM O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045189316 562658403 /nfs/dbraw/zinc/65/84/03/562658403.db2.gz KOKDZGOZSFOYDQ-RLWLMLJZSA-N -1 3 523.460 6.412 1 0 KKAFHM O=C([O-])C[C@@H]1CCN([C@H](CC2CCC2)c2ccc(C(F)(F)F)nc2)[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000045365617 562662068 /nfs/dbraw/zinc/66/20/68/562662068.db2.gz HBLLTNLMARZTIY-VOQZNFBZSA-N -1 3 514.510 7.279 1 0 KKAFHM CC[C@@H](C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(N4CCN(CC5CC5)CC4)c3)cc2)cc1 ZINC000048307295 562662855 /nfs/dbraw/zinc/66/28/55/562662855.db2.gz TUUZZFRUFZPDTB-HSZRJFAPSA-N -1 3 576.763 5.794 1 0 KKAFHM O=C(NCC1CCC(C(=O)NCc2cccc3ccccc32)CC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000048308913 562663181 /nfs/dbraw/zinc/66/31/81/562663181.db2.gz PUYKPQPMTPMADV-UHFFFAOYSA-N -1 3 561.509 7.372 1 0 KKAFHM O=C(Cc1ccc(NC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1)NCc1cccc(C(F)(F)F)c1 ZINC000049605215 562665506 /nfs/dbraw/zinc/66/55/06/562665506.db2.gz MRAKTPFQYPOFIB-UHFFFAOYSA-N -1 3 573.398 7.496 1 0 KKAFHM O=C(NCc1cccc2ccccc21)[C@@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000049605230 562665604 /nfs/dbraw/zinc/66/56/04/562665604.db2.gz NAIQKOZFXHIHQB-HSZRJFAPSA-N -1 3 533.455 6.688 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NCCN1CCCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049626242 562667129 /nfs/dbraw/zinc/66/71/29/562667129.db2.gz XGSYVSHDHZKLOG-SANMLTNESA-N -1 3 540.491 5.309 1 0 KKAFHM O=C(NC1CCCCC1)c1csc([C@@H]2CCCN(C(=O)c3ccc([O-])c(-c4cccc(C(F)(F)F)c4)c3)C2)n1 ZINC000049710090 562671523 /nfs/dbraw/zinc/67/15/23/562671523.db2.gz UZLBGKQDFPSXJE-HXUWFJFHSA-N -1 3 557.638 6.617 1 0 KKAFHM O=C(c1ccc(C(F)(F)F)cc1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049745952 562674167 /nfs/dbraw/zinc/67/41/67/562674167.db2.gz SDSTZLISEIZBEK-UHFFFAOYSA-N -1 3 620.593 5.140 1 0 KKAFHM COc1ccccc1N1CCN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c([O-])c(C(C)(C)C)c2)CC1 ZINC000049746394 562674428 /nfs/dbraw/zinc/67/44/28/562674428.db2.gz TYUANHFHQLOLIK-UHFFFAOYSA-N -1 3 582.789 7.172 1 0 KKAFHM COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c([O-])c3)c2cc1OCCCN1CCN(C)CC1 ZINC000049767566 562677620 /nfs/dbraw/zinc/67/76/20/562677620.db2.gz CYXVEZJWVJIFPJ-UHFFFAOYSA-N -1 3 556.692 5.381 1 0 KKAFHM O=C1OC(c2ccc([O-])c(I)c2)(c2ccc(O)c(I)c2)c2cccc3cccc1c32 ZINC000049780047 562681316 /nfs/dbraw/zinc/68/13/16/562681316.db2.gz MWSBUJZTUYGHOM-UHFFFAOYSA-N -1 3 620.180 5.923 1 0 KKAFHM C[C@@H]1CCC[C@H](C)N1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049823095 562686993 /nfs/dbraw/zinc/68/69/93/562686993.db2.gz DEIIDLOMHTXHPW-RNPORBBMSA-N -1 3 728.355 7.977 1 0 KKAFHM C[C@@H]1CC[C@@H](C)N1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898791 562692839 /nfs/dbraw/zinc/69/28/39/562692839.db2.gz XBLHHIUFHRHWAV-FQLXRVMXSA-N -1 3 714.328 7.587 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000049918182 562694573 /nfs/dbraw/zinc/69/45/73/562694573.db2.gz PFPWUSXQZCTTEI-WDYNHAJCSA-N -1 3 558.600 6.613 1 0 KKAFHM CC(C)(C)c1cc(C(=O)Cn2c3ccc(C(=O)c4ccccc4)cc3nc2NCCCO)cc(C(C)(C)C)c1[O-] ZINC000053297474 562697450 /nfs/dbraw/zinc/69/74/50/562697450.db2.gz LBNDKTVIYGWAKT-UHFFFAOYSA-N -1 3 541.692 6.245 1 0 KKAFHM CC(C)(C)c1cc(C(=O)Cn2c3ccc(-c4ccccc4)cc3nc2NCCCO)cc(C(C)(C)C)c1[O-] ZINC000053298932 562697549 /nfs/dbraw/zinc/69/75/49/562697549.db2.gz BTUOIABZANYDEN-UHFFFAOYSA-N -1 3 513.682 6.681 1 0 KKAFHM Cc1cccc(OC(=O)N(C)SN(C([O-])=NC(=O)c2c(F)cccc2F)c2ccc(C(F)(F)F)cc2)c1 ZINC000060178891 562702623 /nfs/dbraw/zinc/70/26/23/562702623.db2.gz MPVMMINVAVIZEA-UHFFFAOYSA-N -1 3 539.482 6.342 1 0 KKAFHM Cc1cccc(OC(=O)N(C)SN(C(=O)[N-]C(=O)c2c(F)cccc2F)c2ccc(C(F)(F)F)cc2)c1 ZINC000060178891 562702624 /nfs/dbraw/zinc/70/26/24/562702624.db2.gz MPVMMINVAVIZEA-UHFFFAOYSA-N -1 3 539.482 6.342 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326644 562702703 /nfs/dbraw/zinc/70/27/03/562702703.db2.gz NRFHGZHDBILTJF-LJQANCHMSA-N -1 3 592.659 5.490 1 0 KKAFHM CN(CCN1CCOCC1)[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099869 562711126 /nfs/dbraw/zinc/71/11/26/562711126.db2.gz XIDPKKCVWSCHRR-DEOSSOPVSA-N -1 3 517.670 5.079 1 0 KKAFHM CCc1nc2c(nc(Cc3ccccc3)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000072109283 562721541 /nfs/dbraw/zinc/72/15/41/562721541.db2.gz VNCRGDCFGIGDGA-NDEPHWFRSA-N -1 3 511.633 6.276 1 0 KKAFHM CCc1nc2c(nc(Cc3ccccc3)cc2C)n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000072109283 562721542 /nfs/dbraw/zinc/72/15/42/562721542.db2.gz VNCRGDCFGIGDGA-NDEPHWFRSA-N -1 3 511.633 6.276 1 0 KKAFHM O=C1[N-]C(=O)C(=Cc2cc(Br)c(OCc3ccc(C(F)(F)F)cc3)cc2OCc2ccc(C(F)(F)F)cc2)S1 ZINC000072111140 562721893 /nfs/dbraw/zinc/72/18/93/562721893.db2.gz SHTXSDSHRITASC-YVNNLAQVSA-N -1 3 632.376 7.969 1 0 KKAFHM CO[C@H]1O[C@H](C)[C@@H](C)c2c(C)c3c(c([O-])c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c([C@H]4O[C@H](C)[C@@H](C)c5c(C)c(O)cc(O)c54)c(c21)O3 ZINC000072179469 562732332 /nfs/dbraw/zinc/73/23/32/562732332.db2.gz GIHKMCLRUJERAC-LPYLYLGYSA-N -1 3 632.750 7.930 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccco3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073140518 562733595 /nfs/dbraw/zinc/73/35/95/562733595.db2.gz FCJHQDZZLYGFEJ-IZZNHLLZSA-N -1 3 580.493 7.049 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccco3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073140521 562733600 /nfs/dbraw/zinc/73/36/00/562733600.db2.gz FCJHQDZZLYGFEJ-UIOOFZCWSA-N -1 3 580.493 7.049 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC3CC3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073141703 562733697 /nfs/dbraw/zinc/73/36/97/562733697.db2.gz QGSMGBYZDNINDT-RPBOFIJWSA-N -1 3 554.499 6.666 1 0 KKAFHM COc1ccc(Cc2ccc3cc(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2C)cc1OC ZINC000073168696 562734723 /nfs/dbraw/zinc/73/47/23/562734723.db2.gz AOOBQDFULSTFDU-UHFFFAOYSA-N -1 3 513.590 6.176 1 0 KKAFHM CCCCc1nc(C)c(CC(=S)N2CCCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073256861 562736985 /nfs/dbraw/zinc/73/69/85/562736985.db2.gz HWBYVHDUKQDROI-UHFFFAOYSA-N -1 3 555.752 5.536 1 0 KKAFHM CCCCc1nc(C)c(CC(=S)N2CCCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073256861 562736986 /nfs/dbraw/zinc/73/69/86/562736986.db2.gz HWBYVHDUKQDROI-UHFFFAOYSA-N -1 3 555.752 5.536 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(Cl)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000082136657 562738939 /nfs/dbraw/zinc/73/89/39/562738939.db2.gz IBFVWOQHRRDNNC-WUFINQPMSA-N -1 3 624.977 8.110 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000082136662 562738996 /nfs/dbraw/zinc/73/89/96/562738996.db2.gz GJOGVNKXCOLNRU-NSOVKSMOSA-N -1 3 658.529 8.475 1 0 KKAFHM COc1ccc2cc1-c1cc(cc(Br)c1[O-])C[C@H]1c3cc4c(cc3CCN1C)Oc1c(OC)cc3c(c1O4)[C@H](C2)N(C)CC3 ZINC000084596651 562743754 /nfs/dbraw/zinc/74/37/54/562743754.db2.gz FWGCIVBZBPEQOD-NSOVKSMOSA-N -1 3 655.589 7.594 1 0 KKAFHM CC(C)(O)CCC[C@@H](C/C=C/[C@]([O-])(C(C)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000084615986 562744550 /nfs/dbraw/zinc/74/45/50/562744550.db2.gz HCSTZBZVFMMHPS-HMCYBZQNSA-N -1 3 592.730 7.414 1 0 KKAFHM CC(C)(O)CCC[C@@H](C/C=C/[C@@]([O-])(C(C)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000084615985 562744554 /nfs/dbraw/zinc/74/45/54/562744554.db2.gz HCSTZBZVFMMHPS-HZACFNTBSA-N -1 3 592.730 7.414 1 0 KKAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cccc(F)c4F)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084632793 562745593 /nfs/dbraw/zinc/74/55/93/562745593.db2.gz OPFNFKIYQOOQMS-UHFFFAOYSA-N -1 3 563.638 5.004 1 0 KKAFHM Cc1cn2c(-c3cnn(Cc4nc(-c5ccccc5)c[nH]4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084635498 562746184 /nfs/dbraw/zinc/74/61/84/562746184.db2.gz RQUYVPRGCIDFDN-UHFFFAOYSA-N -1 3 550.696 5.526 1 0 KKAFHM CSCC[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc2ccccc2c1 ZINC000084652492 562746554 /nfs/dbraw/zinc/74/65/54/562746554.db2.gz YBSBOXSPOZQRDI-YTMVLYRLSA-N -1 3 585.726 5.254 1 0 KKAFHM COC(=O)[C@H](c1ccc(F)cc1)N1C(=O)c2cc(Cl)ccc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690029 562749460 /nfs/dbraw/zinc/74/94/60/562749460.db2.gz IIVLCPFWULYALQ-SFTDATJTSA-N -1 3 503.382 5.983 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084708794 562750223 /nfs/dbraw/zinc/75/02/23/562750223.db2.gz SESMVBDEQODYAX-XMMPIXPASA-N -1 3 569.713 6.726 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084708794 562750224 /nfs/dbraw/zinc/75/02/24/562750224.db2.gz SESMVBDEQODYAX-XMMPIXPASA-N -1 3 569.713 6.726 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084708796 562750265 /nfs/dbraw/zinc/75/02/65/562750265.db2.gz SESMVBDEQODYAX-DEOSSOPVSA-N -1 3 569.713 6.726 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084708796 562750266 /nfs/dbraw/zinc/75/02/66/562750266.db2.gz SESMVBDEQODYAX-DEOSSOPVSA-N -1 3 569.713 6.726 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@H]1c1ccc(OC)cc1 ZINC000084742220 562752246 /nfs/dbraw/zinc/75/22/46/562752246.db2.gz JYOIWJYTIQLODF-YADHBBJMSA-N -1 3 515.418 5.853 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(C(F)(F)F)nc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559214 562762643 /nfs/dbraw/zinc/76/26/43/562762643.db2.gz QPHHSLBLTLBSOS-QYBDOPJKSA-N -1 3 550.543 7.796 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCN(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095561169 562763288 /nfs/dbraw/zinc/76/32/88/562763288.db2.gz QCZYXTWOIPNMDB-QYBDOPJKSA-N -1 3 500.536 6.036 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095566443 562765013 /nfs/dbraw/zinc/76/50/13/562765013.db2.gz PSWWDIXZTPANEG-JCGBMYGUSA-N -1 3 647.769 5.771 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O ZINC000095567385 562765727 /nfs/dbraw/zinc/76/57/27/562765727.db2.gz BWGPMCSCQKRFNA-QXFFIUSXSA-N -1 3 665.750 5.593 3 0 KKAFHM NCc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)[N-]c3ncns3)cc2Cl)ccn1 ZINC000095584530 562773272 /nfs/dbraw/zinc/77/32/72/562773272.db2.gz RLXRGVFOGWUZNE-UHFFFAOYSA-N -1 3 526.402 5.098 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568313 562766510 /nfs/dbraw/zinc/76/65/10/562766510.db2.gz GQPLODGYDYCVNT-PHKGMDLESA-N -1 3 650.625 5.084 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095568873 562766939 /nfs/dbraw/zinc/76/69/39/562766939.db2.gz VFUMNYRTPAPJFI-MZXMJASYSA-N -1 3 627.807 5.815 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095569241 562767307 /nfs/dbraw/zinc/76/73/07/562767307.db2.gz BZQGFEPSUFQXHE-RDXDNIQESA-N -1 3 648.225 6.160 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCc2ccccc2-c2c3ccccc3n(C)c2C1=O ZINC000095569622 562767571 /nfs/dbraw/zinc/76/75/71/562767571.db2.gz YIOWAERVOJZIKA-BURCIIJTSA-N -1 3 569.702 5.033 3 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095570116 562767890 /nfs/dbraw/zinc/76/78/90/562767890.db2.gz QLJXCVWJUUTTMH-JVAKCPTJSA-N -1 3 606.572 5.146 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095570793 562768500 /nfs/dbraw/zinc/76/85/00/562768500.db2.gz ILRCCMQCDZZMAZ-DFRLRCAJSA-N -1 3 706.265 5.327 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095571494 562769044 /nfs/dbraw/zinc/76/90/44/562769044.db2.gz GVXBSEWFCYEYHS-WOEJUUGOSA-N -1 3 786.008 6.558 1 0 KKAFHM Cc1cn([C@H]2CCCN([C@@H](CC(C)(C)C)c3ccc(C(=O)[O-])c(Oc4cccc(Br)c4)c3)C2)c(=O)[nH]c1=O ZINC000095574020 562769860 /nfs/dbraw/zinc/76/98/60/562769860.db2.gz SXYGLXXKMZTVNB-URXFXBBRSA-N -1 3 584.511 5.912 1 0 KKAFHM Cc1ccc(CC2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)cc1 ZINC000095575685 562770397 /nfs/dbraw/zinc/77/03/97/562770397.db2.gz DVAUCZYGVGVZMO-FQEVSTJZSA-N -1 3 606.686 5.798 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2cc(F)cc(F)c2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578498 562771263 /nfs/dbraw/zinc/77/12/63/562771263.db2.gz DKCNQAVAFXNUSX-KRWDZBQOSA-N -1 3 628.639 5.768 1 0 KKAFHM CCC[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095579246 562771454 /nfs/dbraw/zinc/77/14/54/562771454.db2.gz OTDSFZWENWUAKU-NZQKXSOJSA-N -1 3 512.006 5.167 1 0 KKAFHM Cc1nc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)cs1 ZINC000095580327 562771838 /nfs/dbraw/zinc/77/18/38/562771838.db2.gz SZIHPOGWBQVWLZ-XNTDXEJSSA-N -1 3 625.795 6.199 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599417 562778085 /nfs/dbraw/zinc/77/80/85/562778085.db2.gz ORTMWWQHMCADOR-MEEIBLSFSA-N -1 3 741.178 7.375 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095599672 562778220 /nfs/dbraw/zinc/77/82/20/562778220.db2.gz UIKXZKCHSBRXDR-BWLKTWDLSA-N -1 3 705.840 6.434 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600006 562778525 /nfs/dbraw/zinc/77/85/25/562778525.db2.gz CBQVGICLIDWTFD-CGQTXMLISA-N -1 3 620.599 5.075 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@@H](C)O2 ZINC000095600578 562779018 /nfs/dbraw/zinc/77/90/18/562779018.db2.gz CBAAPWVHONFTKW-UDWIDTORSA-N -1 3 724.843 6.039 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600729 562779179 /nfs/dbraw/zinc/77/91/79/562779179.db2.gz UQRVVYXDOOLUAO-MJQNYGCISA-N -1 3 723.830 6.573 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601988 562779814 /nfs/dbraw/zinc/77/98/14/562779814.db2.gz QMCFBRPLMVFDBX-GAQVVXLESA-N -1 3 740.285 7.087 1 0 KKAFHM Brc1cc(Br)c2c(c1)nc(CCc1ccccc1)nc2SCc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000095602499 562780117 /nfs/dbraw/zinc/78/01/17/562780117.db2.gz YQADHSLTHDVZFA-UHFFFAOYSA-N -1 3 658.423 8.079 1 0 KKAFHM Brc1cc(Br)c2c(c1)nc(CCc1ccccc1)nc2SCc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000095602499 562780118 /nfs/dbraw/zinc/78/01/18/562780118.db2.gz YQADHSLTHDVZFA-UHFFFAOYSA-N -1 3 658.423 8.079 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095603380 562780495 /nfs/dbraw/zinc/78/04/95/562780495.db2.gz ZBBNPLMVFVREHD-PNCWTNKOSA-N -1 3 719.867 6.742 1 0 KKAFHM Fc1ccc(CSc2nc3ccccc3c(SCc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)n2)cc1 ZINC000095603496 562780529 /nfs/dbraw/zinc/78/05/29/562780529.db2.gz FMLBSRMMKFFDBD-UHFFFAOYSA-N -1 3 536.661 7.201 1 0 KKAFHM Fc1ccc(CSc2nc3ccccc3c(SCc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)n2)cc1 ZINC000095603496 562780530 /nfs/dbraw/zinc/78/05/30/562780530.db2.gz FMLBSRMMKFFDBD-UHFFFAOYSA-N -1 3 536.661 7.201 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095603732 562780635 /nfs/dbraw/zinc/78/06/35/562780635.db2.gz ZBBNPLMVFVREHD-GBJJYOARSA-N -1 3 719.867 6.742 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095605169 562781438 /nfs/dbraw/zinc/78/14/38/562781438.db2.gz LFZLAWVTNRSJHJ-JALBGMRZSA-N -1 3 735.866 6.442 1 0 KKAFHM COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095751760 562788803 /nfs/dbraw/zinc/78/88/03/562788803.db2.gz URUYPBZFUNKRKA-KYFCECMNSA-N -1 3 673.898 5.485 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095737260 562788857 /nfs/dbraw/zinc/78/88/57/562788857.db2.gz QVHOUQFQIBTSDR-VUYBWUDLSA-N -1 3 719.898 5.051 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095850016 562789486 /nfs/dbraw/zinc/78/94/86/562789486.db2.gz SYWCYXHAIYXQLV-NKQBKRSGSA-N -1 3 640.124 5.512 1 0 KKAFHM CCN1CCN(c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175737 562791940 /nfs/dbraw/zinc/79/19/40/562791940.db2.gz YFWCDHZKTPLXKQ-UHFFFAOYSA-N -1 3 646.818 5.149 1 0 KKAFHM CCCc1scc(-c2cn[nH]c2)c1C[C@@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)c1nccc(=O)[n-]1 ZINC000096269757 562793006 /nfs/dbraw/zinc/79/30/06/562793006.db2.gz VZGLRGZNIAWDHX-JOCHJYFZSA-N -1 3 521.090 5.482 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OC1CCC(C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270938 562793533 /nfs/dbraw/zinc/79/35/33/562793533.db2.gz IYWBSTOLEAIXAO-DZIBYMRMSA-N -1 3 573.653 6.015 1 0 KKAFHM CC(C)CC(CC(C)C)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270949 562793573 /nfs/dbraw/zinc/79/35/73/562793573.db2.gz LBVHMPGWVRIKAI-QGZVFWFLSA-N -1 3 561.642 5.871 1 0 KKAFHM CCC1CCC(Sc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000096286074 562795971 /nfs/dbraw/zinc/79/59/71/562795971.db2.gz NZHTZLLGTSKFQP-LYGPFTKASA-N -1 3 561.667 6.092 1 0 KKAFHM COc1ccc(CSc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096286064 562796002 /nfs/dbraw/zinc/79/60/02/562796002.db2.gz AZKQDYNHIYABDJ-HNNXBMFYSA-N -1 3 571.618 5.332 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286069 562796004 /nfs/dbraw/zinc/79/60/04/562796004.db2.gz NQVHJCBBCBFEOW-CQSZACIVSA-N -1 3 576.037 5.977 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1cccs1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286056 562796020 /nfs/dbraw/zinc/79/60/20/562796020.db2.gz RVHDDLPITWNHNT-ZDUSSCGKSA-N -1 3 547.621 5.385 1 0 KKAFHM Cc1ccc(-c2c3c([nH]c4nc(=S)[n-]c(=S)c2-4)N(c2ccc(F)cc2)C2(CCCCC2)S3)cc1 ZINC000096932569 562803421 /nfs/dbraw/zinc/80/34/21/562803421.db2.gz UQDJFDBTEFYLPM-UHFFFAOYSA-N -1 3 506.697 7.995 1 0 KKAFHM CCOC(=O)C1=C(COCCNc2nc([O-])cs2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000100049694 562806437 /nfs/dbraw/zinc/80/64/37/562806437.db2.gz BUTGJIOWDJPZLP-LOFJQREMSA-N -1 3 542.441 5.076 1 0 KKAFHM O=C(CNc1c(Cl)cccc1Cl)Nc1ccc2ccc(S(=O)(=O)Nc3c(Cl)cccc3Cl)cc2c1[O-] ZINC000102935230 562813569 /nfs/dbraw/zinc/81/35/69/562813569.db2.gz AAHVZBOFTGNEMJ-FQEVSTJZSA-N -1 3 585.296 5.907 1 0 KKAFHM CCCCc1nc2ccn(C(=O)N(c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103197183 562815879 /nfs/dbraw/zinc/81/58/79/562815879.db2.gz IQVSORZMXLQCSZ-UHFFFAOYSA-N -1 3 620.717 7.242 1 0 KKAFHM CCCCc1nc2ccn(C(=O)N(c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103197183 562815880 /nfs/dbraw/zinc/81/58/80/562815880.db2.gz IQVSORZMXLQCSZ-UHFFFAOYSA-N -1 3 620.717 7.242 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000103215772 562817102 /nfs/dbraw/zinc/81/71/02/562817102.db2.gz QZKOUVUQAAFPGD-UHFFFAOYSA-N -1 3 524.654 5.394 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000103215772 562817103 /nfs/dbraw/zinc/81/71/03/562817103.db2.gz QZKOUVUQAAFPGD-UHFFFAOYSA-N -1 3 524.654 5.394 1 0 KKAFHM CN(C)Cc1cccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)c1 ZINC000114035317 562827044 /nfs/dbraw/zinc/82/70/44/562827044.db2.gz CWZLFIGUABLARS-UHFFFAOYSA-N -1 3 506.433 7.312 1 0 KKAFHM CN(C)CCOc1ccc(Nc2c3cc(-c4cc(Cl)c([O-])c(Cl)c4)ccc3ncc2S(C)(=O)=O)cn1 ZINC000114037058 562827150 /nfs/dbraw/zinc/82/71/50/562827150.db2.gz QPEDCASNEBWXGW-UHFFFAOYSA-N -1 3 547.464 5.397 1 0 KKAFHM COc1ccc(-c2nc(C(C)(C)C)sc2CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000114362469 562828150 /nfs/dbraw/zinc/82/81/50/562828150.db2.gz AFMMHESANIDPPI-UHFFFAOYSA-N -1 3 535.666 5.806 1 0 KKAFHM Cc1ccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000138747016 562832146 /nfs/dbraw/zinc/83/21/46/562832146.db2.gz OPIXMECYNNTCAZ-SANMLTNESA-N -1 3 609.711 6.793 1 0 KKAFHM CC[C@](C)(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138707849 562832156 /nfs/dbraw/zinc/83/21/56/562832156.db2.gz BOPVIOXNICDDLE-DEOSSOPVSA-N -1 3 561.667 6.020 1 0 KKAFHM COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1 ZINC000140199404 562832923 /nfs/dbraw/zinc/83/29/23/562832923.db2.gz ZSBBAWKSCUXVDU-ONBPZOJHSA-N -1 3 562.707 5.076 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cc(C)cs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142847188 562834345 /nfs/dbraw/zinc/83/43/45/562834345.db2.gz DSWFZZGDYFLCAR-RCZVLFRGSA-N -1 3 597.586 6.108 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])c(OC)c4)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144531459 562836334 /nfs/dbraw/zinc/83/63/34/562836334.db2.gz FISGBSLKOAGUSC-UHFFFAOYSA-N -1 3 584.591 6.176 1 0 KKAFHM COc1ccc(-c2cc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1OC ZINC000145665500 562837447 /nfs/dbraw/zinc/83/74/47/562837447.db2.gz DPYMWVVXXCEURD-HNNXBMFYSA-N -1 3 554.562 5.320 1 0 KKAFHM COc1ccc(-c2cc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1OC ZINC000145665646 562837476 /nfs/dbraw/zinc/83/74/76/562837476.db2.gz DPYMWVVXXCEURD-OAHLLOKOSA-N -1 3 554.562 5.320 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145673132 562837489 /nfs/dbraw/zinc/83/74/89/562837489.db2.gz NMLISYJVQURJKO-CYBMUJFWSA-N -1 3 529.943 5.351 1 0 KKAFHM CCCCCCOc1nc(C(F)(F)F)cc(C)c1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145692194 562837526 /nfs/dbraw/zinc/83/75/26/562837526.db2.gz XGRJYEAKSQJCCL-MRXNPFEDSA-N -1 3 533.588 5.298 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146524552 562838671 /nfs/dbraw/zinc/83/86/71/562838671.db2.gz HKZMRVSAAWOJAE-YCABEKBOSA-N -1 3 521.536 5.201 1 0 KKAFHM CN1CC=C(c2cc(C(F)(F)F)ccc2-c2cccc3c2CCN(S(=O)(=O)N=c2[n-]cc(F)s2)C3)CC1 ZINC000147506726 562839450 /nfs/dbraw/zinc/83/94/50/562839450.db2.gz JIHSVBWAKKLMNO-UHFFFAOYSA-N -1 3 552.619 5.402 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000150533063 562843851 /nfs/dbraw/zinc/84/38/51/562843851.db2.gz RPNLMNYQLLWISV-FMNMDZGISA-N -1 3 740.316 5.396 1 0 KKAFHM CC(C)Nc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F ZINC000150600679 562847196 /nfs/dbraw/zinc/84/71/96/562847196.db2.gz ZYGVPVPZEFXKCB-UHFFFAOYSA-N -1 3 767.336 7.358 1 0 KKAFHM CCOCCN1C[C@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165409229 562850214 /nfs/dbraw/zinc/85/02/14/562850214.db2.gz PEDRYBXFFFSWRH-WHGPXECPSA-N -1 3 758.982 5.517 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000169324783 562857456 /nfs/dbraw/zinc/85/74/56/562857456.db2.gz SWKZBANGSUVSOB-UHFFFAOYSA-N -1 3 529.604 5.260 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000169324783 562857457 /nfs/dbraw/zinc/85/74/57/562857457.db2.gz SWKZBANGSUVSOB-UHFFFAOYSA-N -1 3 529.604 5.260 1 0 KKAFHM Cc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=S)NCc3ccccc3)cc2)cc1 ZINC000169334389 562859490 /nfs/dbraw/zinc/85/94/90/562859490.db2.gz WTDCITYAOVFRGK-WJOKGBTCSA-N -1 3 583.783 5.770 1 0 KKAFHM O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H](C2CCCCC2)C1=C([O-])c1ccc(Br)cc1 ZINC000169694853 562865694 /nfs/dbraw/zinc/86/56/94/562865694.db2.gz LGLKQEOSBZQPJD-GOTSBHOMSA-N -1 3 507.384 5.468 1 0 KKAFHM COCCOc1cc(F)ccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695949 562865880 /nfs/dbraw/zinc/86/58/80/562865880.db2.gz MFHBGVIYHUPDMO-UIOOFZCWSA-N -1 3 509.599 5.468 1 0 KKAFHM CCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696390 562866016 /nfs/dbraw/zinc/86/60/16/562866016.db2.gz LDGPBAOTRNHWPT-DQEYMECFSA-N -1 3 502.636 5.314 1 0 KKAFHM COCCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696373 562866030 /nfs/dbraw/zinc/86/60/30/562866030.db2.gz MQKYJLVLBNNQHJ-KAYWLYCHSA-N -1 3 505.636 5.719 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000169696431 562866050 /nfs/dbraw/zinc/86/60/50/562866050.db2.gz NZRZNSFGOKNWKN-AZGAKELHSA-N -1 3 518.635 5.572 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3CC(=O)N3CCCC3)cc2)cs1 ZINC000169696511 562866146 /nfs/dbraw/zinc/86/61/46/562866146.db2.gz TZIMETHCTSAIIS-VSGBNLITSA-N -1 3 528.674 5.387 1 0 KKAFHM CCN(C)C(=O)c1ncccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696693 562866244 /nfs/dbraw/zinc/86/62/44/562866244.db2.gz DNVBOEMCMAUILF-AZGAKELHSA-N -1 3 517.651 5.099 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)cc1Cl ZINC000202735087 562873865 /nfs/dbraw/zinc/87/38/65/562873865.db2.gz DDMZLHLLAGGIKH-ISKFKSNPSA-N -1 3 583.559 5.799 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202735648 562873928 /nfs/dbraw/zinc/87/39/28/562873928.db2.gz VOYNOXORQINFJI-RPWUZVMVSA-N -1 3 549.114 5.146 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccn4cc(-c5ccc6ccccc6c5)nc34)cc2)cc1 ZINC000206591473 562876451 /nfs/dbraw/zinc/87/64/51/562876451.db2.gz USCLMOQYSKFAKN-UHFFFAOYSA-N -1 3 506.587 6.451 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nccn4cc(-c5cnc6ccccc6n5)nc34)cc2)cc1 ZINC000206590712 562876484 /nfs/dbraw/zinc/87/64/84/562876484.db2.gz KGPYURNMZVWMGO-UHFFFAOYSA-N -1 3 507.579 5.192 1 0 KKAFHM CC1CCC(Cn2c(N3CCC[C@H]4COCC[C@@H]43)nc3cc(-c4noc(=O)[n-]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209607097 562876900 /nfs/dbraw/zinc/87/69/00/562876900.db2.gz SICWPWHPJFOOOQ-AMJMATRHSA-N -1 3 564.090 5.322 1 0 KKAFHM CC[C@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[n-]4)nc(-c4cncc(Cl)c4)c32)C1 ZINC000219413407 562878149 /nfs/dbraw/zinc/87/81/49/562878149.db2.gz ZOUXNVYMQAYQQO-ZCVTWQBDSA-N -1 3 550.063 5.074 1 0 KKAFHM CC(C)(O)c1ccnc(-c2cccc3cc([C@H]([N-]S(=O)(=O)C4CC4)c4c(Cl)cnc(N)c4F)sc32)c1 ZINC000224167296 562880387 /nfs/dbraw/zinc/88/03/87/562880387.db2.gz FBKAQPKUCXZNGQ-QFIPXVFZSA-N -1 3 547.077 5.132 1 0 in-vitro KKAFHM CCOC(=O)[C@@H]1[C@H](c2ccccc2Br)N(C)[C@H](c2ccccc2Br)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000253676482 562882777 /nfs/dbraw/zinc/88/27/77/562882777.db2.gz FXIQVIUXZIBHOR-IWOFBJJHSA-N -1 3 669.819 6.191 1 0 KKAFHM O=C([O-])[C@@]12C[C@@H](OCc3ccccc3)CN1[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000253679570 562882814 /nfs/dbraw/zinc/88/28/14/562882814.db2.gz XLGYEYQAMCYTAF-SRVIBMTNSA-N -1 3 630.322 5.731 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@H](C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834030 562886364 /nfs/dbraw/zinc/88/63/64/562886364.db2.gz QSGHXDMUWYXAEN-LSDHHAIUSA-N -1 3 513.557 5.234 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@H](C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834026 562886389 /nfs/dbraw/zinc/88/63/89/562886389.db2.gz QSGHXDMUWYXAEN-GJZGRUSLSA-N -1 3 513.557 5.234 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1[C@H]1CC[C@@H](C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834911 562886649 /nfs/dbraw/zinc/88/66/49/562886649.db2.gz WACMEXRQSXAUTA-HLIPFELVSA-N -1 3 557.654 6.351 1 0 KKAFHM CC(=O)[N-]C1=NN(C(C)=O)[C@@]2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@H](c3ccc(Cl)cc3)C2)S1 ZINC000299847748 562890046 /nfs/dbraw/zinc/89/00/46/562890046.db2.gz PUVNQFBXLHHXSF-FIDNPTQWSA-N -1 3 519.454 5.117 1 0 KKAFHM CC(C)(C)OC(=O)NCCCN(CCCCN(CCCNC(=O)CC1c2cccc([O-])c2C(=O)c2c(O)cccc21)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000473156145 562902478 /nfs/dbraw/zinc/90/24/78/562902478.db2.gz SRBMDTFGDHWKKF-UHFFFAOYSA-N -1 3 768.949 6.840 1 0 KKAFHM CN(C)C[C@@]1(O)CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159172 562902626 /nfs/dbraw/zinc/90/26/26/562902626.db2.gz MPYUWVCFVIOYNX-GCSLNTQSSA-N -1 3 512.025 5.062 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1N[C@H]1CC[C@H](CN2CC[C@@H](F)C2)CC1 ZINC000473194492 562903656 /nfs/dbraw/zinc/90/36/56/562903656.db2.gz OEIGSNUMLJFEAM-BHIYHBOVSA-N -1 3 531.459 5.948 1 0 KKAFHM C[C@H](N)C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473197791 562903690 /nfs/dbraw/zinc/90/36/90/562903690.db2.gz FMOQEUSSKGBLAW-SNRMKQJTSA-N -1 3 557.522 5.751 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000473198709 562903745 /nfs/dbraw/zinc/90/37/45/562903745.db2.gz VDISUPBLZNSGSR-DRGJWEBESA-N -1 3 541.067 5.237 1 0 KKAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCCC3)c2)C(=O)c2cc(Cl)c([O-])cc2[O-])cc1 ZINC000653672868 562906201 /nfs/dbraw/zinc/90/62/01/562906201.db2.gz NIDZTCVHIXNLMV-UHFFFAOYSA-N -1 3 577.512 7.003 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653694201 562906957 /nfs/dbraw/zinc/90/69/57/562906957.db2.gz LKIJLVUHYVZITR-LJQANCHMSA-N -1 3 682.693 5.566 1 0 KKAFHM COc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000653697117 562907097 /nfs/dbraw/zinc/90/70/97/562907097.db2.gz PYNPATCHJQZVPM-IBGZPJMESA-N -1 3 712.719 5.574 1 0 KKAFHM Cc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000653697141 562907119 /nfs/dbraw/zinc/90/71/19/562907119.db2.gz WSRVBKYIHBHJIK-HXUWFJFHSA-N -1 3 696.720 5.874 1 0 KKAFHM COC(=O)[C@H](CC(C)C)N[P@](=O)(Oc1ccccc1)Oc1ccc2c(c1)occ(-c1ccc([O-])cc1)c2=O ZINC000653709056 562908039 /nfs/dbraw/zinc/90/80/39/562908039.db2.gz QUYKAYFDNWAECP-KUPGCWECSA-N -1 3 537.505 5.909 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(CC1CCCCC1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653713283 562908266 /nfs/dbraw/zinc/90/82/66/562908266.db2.gz WGCCHZUQFVRZFZ-HXUWFJFHSA-N -1 3 670.751 5.807 1 0 KKAFHM Cc1nc([N-]c2nc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC3CC3)ncc2Cl)c(S(=O)(=O)C(C)C)s1 ZINC000653729347 562909384 /nfs/dbraw/zinc/90/93/84/562909384.db2.gz UJLWFRSYBKZXKS-UHFFFAOYSA-N -1 3 591.203 6.223 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@@H](COC)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653758332 562911110 /nfs/dbraw/zinc/91/11/10/562911110.db2.gz INTREKWVCPCQBT-PMERELPUSA-N -1 3 585.712 6.310 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@@H](COC)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653758332 562911111 /nfs/dbraw/zinc/91/11/11/562911111.db2.gz INTREKWVCPCQBT-PMERELPUSA-N -1 3 585.712 6.310 1 0 KKAFHM COc1c([O-])c(CCc2cccc(-c3cc(C4(C)CCCC4)[nH]c3N3CC[NH2+]CC3)c2)c2oc(-c3ccc([O-])cc3)cc(=O)c2c1OCCCO ZINC000150350023 565202474 /nfs/dbraw/zinc/20/24/74/565202474.db2.gz GIGBMEBZNQMAJU-UHFFFAOYSA-N -1 3 692.833 6.448 1 0 biogenic,in-vitro KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@]1(C)CC(C)=C[C@@H]2c4c(C)c5c(cc4O[C@](O)([C@@H]3O)[C@@H]21)oc1cc(C)cc(O)c15 ZINC000100772791 571816285 /nfs/dbraw/zinc/81/62/85/571816285.db2.gz JCRLYBYVQJKZSH-JDNYOJGKSA-N -1 3 538.596 6.804 1 0 endogenous,in-man KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@]1(C)CC(C)=C[C@H]2c4c(C)c5c(cc4O[C@](O)([C@@H]3O)[C@@H]21)oc1cc(C)cc(O)c15 ZINC000100772787 571816424 /nfs/dbraw/zinc/81/64/24/571816424.db2.gz JCRLYBYVQJKZSH-XDGSLGNISA-N -1 3 538.596 6.804 1 0 endogenous,in-man KKAFHM COc1ccc(NC(=O)[N-]c2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000003926208 561686611 /nfs/dbraw/zinc/68/66/11/561686611.db2.gz OLJJUIWQSVLKJD-UHFFFAOYSA-N -1 3 508.542 5.019 1 0 KKAFHM O=[S@@](Cc1cc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccn1)c1nc2cscc2[n-]1 ZINC000008463223 561705672 /nfs/dbraw/zinc/70/56/72/561705672.db2.gz NETSEFWQEMFBOV-MGBGTMOVSA-N -1 3 505.465 5.944 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)CCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)cc1 ZINC000013470131 561713753 /nfs/dbraw/zinc/71/37/53/561713753.db2.gz IHPCPJMKFZLPSZ-XUEBXJBISA-N -1 3 506.687 5.454 1 0 KKAFHM COc1ccc(-c2ccc(C(=O)N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)OCO4)o2)cc1 ZINC000013493108 561716521 /nfs/dbraw/zinc/71/65/21/561716521.db2.gz MQVTTZZNSGJGES-NDEPHWFRSA-N -1 3 506.514 5.271 1 0 KKAFHM CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CN(C)C(=O)OC(C)(C)C)[n-]c(=O)c12 ZINC000013585128 561720371 /nfs/dbraw/zinc/72/03/71/561720371.db2.gz GYMRYPQUSLJQRM-UHFFFAOYSA-N -1 3 504.827 5.158 1 0 KKAFHM COc1ccc(C(OCCN2CCC[C@@H](C(=O)[O-])C2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 ZINC000013737905 561725679 /nfs/dbraw/zinc/72/56/79/561725679.db2.gz HSSYPZBJVLXPLH-HXUWFJFHSA-N -1 3 514.449 6.107 1 0 KKAFHM CCCCc1nc(-c2cc(C(=O)OC)cc(C)n2)cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742397 561726390 /nfs/dbraw/zinc/72/63/90/561726390.db2.gz IVGDYLQSOUUTCP-UHFFFAOYSA-N -1 3 507.598 5.278 1 0 KKAFHM CCCCc1nc(-c2cc(C(=O)OC)cc(C)n2)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742397 561726392 /nfs/dbraw/zinc/72/63/92/561726392.db2.gz IVGDYLQSOUUTCP-UHFFFAOYSA-N -1 3 507.598 5.278 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804856 561731381 /nfs/dbraw/zinc/73/13/81/561731381.db2.gz LNVWENSCRCDQIR-FQEVSTJZSA-N -1 3 514.589 5.567 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804856 561731382 /nfs/dbraw/zinc/73/13/82/561731382.db2.gz LNVWENSCRCDQIR-FQEVSTJZSA-N -1 3 514.589 5.567 1 0 KKAFHM CCCCc1nn(CC[C@H](C)CC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832232 561733436 /nfs/dbraw/zinc/73/34/36/561733436.db2.gz DVRJARPEZUOMAP-NRFANRHFSA-N -1 3 501.679 5.745 1 0 KKAFHM CCCCc1nn(CC[C@H](C)CC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832232 561733437 /nfs/dbraw/zinc/73/34/37/561733437.db2.gz DVRJARPEZUOMAP-NRFANRHFSA-N -1 3 501.679 5.745 1 0 KKAFHM CCCCc1nn(-c2ccccc2C)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013833900 561733927 /nfs/dbraw/zinc/73/39/27/561733927.db2.gz XBVZTWSFUFYLRH-UHFFFAOYSA-N -1 3 520.637 6.138 1 0 KKAFHM CCCCc1nn(-c2ccccc2C)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013833900 561733928 /nfs/dbraw/zinc/73/39/28/561733928.db2.gz XBVZTWSFUFYLRH-UHFFFAOYSA-N -1 3 520.637 6.138 1 0 KKAFHM CCCCc1nn(-c2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013833899 561733991 /nfs/dbraw/zinc/73/39/91/561733991.db2.gz XFUMQLDTGSSFHR-UHFFFAOYSA-N -1 3 506.610 5.830 1 0 KKAFHM CCCCc1nn(-c2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013833899 561733992 /nfs/dbraw/zinc/73/39/92/561733992.db2.gz XFUMQLDTGSSFHR-UHFFFAOYSA-N -1 3 506.610 5.830 1 0 KKAFHM O=C([O-])c1ccc(-c2sc3cc(O)ccc3c2C(=O)c2ccc(OCCN3CCCCC3)cc2)cc1 ZINC000013834322 561734218 /nfs/dbraw/zinc/73/42/18/561734218.db2.gz ABEGOCVTLNVVNE-UHFFFAOYSA-N -1 3 501.604 6.068 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014278252 561739027 /nfs/dbraw/zinc/73/90/27/561739027.db2.gz SIKJGBOEWBICQY-GDLZYMKVSA-N -1 3 573.657 5.198 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014278252 561739029 /nfs/dbraw/zinc/73/90/29/561739029.db2.gz SIKJGBOEWBICQY-GDLZYMKVSA-N -1 3 573.657 5.198 1 0 KKAFHM CCCCc1nn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026274768 561778038 /nfs/dbraw/zinc/77/80/38/561778038.db2.gz KSYXTMPKBPJYGK-UHFFFAOYSA-N -1 3 551.695 5.068 1 0 KKAFHM CCCCc1nn(CC(=O)C23CC4CC(CC(C4)C2)C3)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026274768 561778040 /nfs/dbraw/zinc/77/80/40/561778040.db2.gz KSYXTMPKBPJYGK-UHFFFAOYSA-N -1 3 551.695 5.068 1 0 KKAFHM CCCCc1nn(C[C@@H](OCCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026275514 561778215 /nfs/dbraw/zinc/77/82/15/561778215.db2.gz BDNZRTTUCHGDRE-MUUNZHRXSA-N -1 3 537.668 5.451 1 0 KKAFHM CCCCc1nn(C[C@@H](OCCC)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026275514 561778216 /nfs/dbraw/zinc/77/82/16/561778216.db2.gz BDNZRTTUCHGDRE-MUUNZHRXSA-N -1 3 537.668 5.451 1 0 KKAFHM COc1cc(Cc2c3ccccc3sc2-c2ccc(OCCCC(=O)[O-])cc2)ccc1CN1CCCC1 ZINC000026396674 561787165 /nfs/dbraw/zinc/78/71/65/561787165.db2.gz CIKSCFWZIVAQIN-UHFFFAOYSA-N -1 3 515.675 7.007 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(C)=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579144 561804219 /nfs/dbraw/zinc/80/42/19/561804219.db2.gz FJXQRXSRMPCBGO-SSEXGKCCSA-N -1 3 557.658 5.614 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(C)=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579144 561804220 /nfs/dbraw/zinc/80/42/20/561804220.db2.gz FJXQRXSRMPCBGO-SSEXGKCCSA-N -1 3 557.658 5.614 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3cccc(Cl)c3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579943 561805340 /nfs/dbraw/zinc/80/53/40/561805340.db2.gz UVLQAMPEDCFOIG-HKBQPEDESA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3cccc(Cl)c3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579943 561805341 /nfs/dbraw/zinc/80/53/41/561805341.db2.gz UVLQAMPEDCFOIG-HKBQPEDESA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3Cl)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579944 561805369 /nfs/dbraw/zinc/80/53/69/561805369.db2.gz MEVQTBMBYQPKCM-WJOKGBTCSA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3Cl)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579944 561805370 /nfs/dbraw/zinc/80/53/70/561805370.db2.gz MEVQTBMBYQPKCM-WJOKGBTCSA-N -1 3 636.156 6.630 1 0 KKAFHM COc1cc(C)cc2c(-c3cccs3)cc(-c3cc(-c4cccs4)c4cc(C)cc(OC)c4c3O)c([O-])c12 ZINC000026640404 561806489 /nfs/dbraw/zinc/80/64/89/561806489.db2.gz MQHSQOGIYIKCME-UHFFFAOYSA-N -1 3 538.690 9.162 1 0 KKAFHM CCCCc1nn(-c2ccc(Cl)cc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026651254 561808430 /nfs/dbraw/zinc/80/84/30/561808430.db2.gz KBWXCDNLLSZCIW-UHFFFAOYSA-N -1 3 541.055 6.483 1 0 KKAFHM CCCCc1nn(-c2ccc(Cl)cc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026651254 561808431 /nfs/dbraw/zinc/80/84/31/561808431.db2.gz KBWXCDNLLSZCIW-UHFFFAOYSA-N -1 3 541.055 6.483 1 0 KKAFHM COc1cc(C)cc2c(-c3ccccc3)cc(-c3cc(-c4ccccc4)c4cc(C)cc(OC)c4c3O)c([O-])c12 ZINC000026657768 561809830 /nfs/dbraw/zinc/80/98/30/561809830.db2.gz CXUJHLYKCHYUHR-UHFFFAOYSA-N -1 3 526.632 9.039 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2OCCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nnn[n-]2)c3S1 ZINC000026667946 561811666 /nfs/dbraw/zinc/81/16/66/561811666.db2.gz URJZOGCWXGXYNF-XMMPIXPASA-N -1 3 649.264 8.388 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2OCCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nn[n-]n2)c3S1 ZINC000026667946 561811669 /nfs/dbraw/zinc/81/16/69/561811669.db2.gz URJZOGCWXGXYNF-XMMPIXPASA-N -1 3 649.264 8.388 1 0 KKAFHM CN(C)c1ccc(N2C(=O)[C@H](CCc3ccccc3)N(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)C2=S)cc1 ZINC000026949687 561828817 /nfs/dbraw/zinc/82/88/17/561828817.db2.gz BMWMTEIGSLLPED-PMERELPUSA-N -1 3 573.726 5.735 1 0 KKAFHM CN(C)c1ccc(N2C(=O)[C@H](CCc3ccccc3)N(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)C2=S)cc1 ZINC000026949687 561828819 /nfs/dbraw/zinc/82/88/19/561828819.db2.gz BMWMTEIGSLLPED-PMERELPUSA-N -1 3 573.726 5.735 1 0 KKAFHM O=C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C1c2cccc([O-])c2C(=O)c2c(O)cccc21 ZINC000027329311 561854466 /nfs/dbraw/zinc/85/44/66/561854466.db2.gz NCVYRWMFWRCYRV-UHFFFAOYSA-N -1 3 556.614 6.744 1 0 KKAFHM O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1Cc2c([n-]c3ccccc3c2=O)[C@H]1c1ccc2c(c1)OCO2 ZINC000027442922 561860989 /nfs/dbraw/zinc/86/09/89/561860989.db2.gz DTVQHOVWOLPNJL-HHHXNRCGSA-N -1 3 544.485 6.281 1 0 KKAFHM CCCc1c(OCCCOc2cc(O)c(-c3ccccc3)cc2CC)cccc1Oc1ccccc1Cc1nnn[n-]1 ZINC000027517479 561861175 /nfs/dbraw/zinc/86/11/75/561861175.db2.gz CENRBRKSUZEMFZ-UHFFFAOYSA-N -1 3 564.686 7.318 1 0 KKAFHM CCCc1c(OCCCOc2cc(O)c(-c3ccccc3)cc2CC)cccc1Oc1ccccc1Cc1nn[n-]n1 ZINC000027517479 561861176 /nfs/dbraw/zinc/86/11/76/561861176.db2.gz CENRBRKSUZEMFZ-UHFFFAOYSA-N -1 3 564.686 7.318 1 0 KKAFHM O=C([N-]c1nc2nn(CCc3cccc4ccccc43)cc2c2nc(-c3ccco3)nn21)Nc1cccc(Cl)c1 ZINC000027548141 561867339 /nfs/dbraw/zinc/86/73/39/561867339.db2.gz GQCGUWPDYGWRML-UHFFFAOYSA-N -1 3 548.994 6.427 1 0 KKAFHM CCS(=O)(=O)C[C@H](CC1CCCCC1)NCc1ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c2ccccc2C)c1 ZINC000027552360 561868369 /nfs/dbraw/zinc/86/83/69/561868369.db2.gz FJDXENQMICMEKN-SVEHJYQDSA-N -1 3 588.836 5.461 1 0 KKAFHM CC(C)CC1=C([O-])N(COP(=O)(OCc2ccccc2)OCc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027626432 561873178 /nfs/dbraw/zinc/87/31/78/561873178.db2.gz DGCFYCDTVAXPOR-AREMUKBSSA-N -1 3 560.609 5.048 1 0 KKAFHM CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000027708902 561879343 /nfs/dbraw/zinc/87/93/43/561879343.db2.gz NODXAMFYUHYYBY-UHFFFAOYSA-N -1 3 554.680 5.402 1 0 KKAFHM CCCCc1nnc(SCc2ccc(OC)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000027708902 561879344 /nfs/dbraw/zinc/87/93/44/561879344.db2.gz NODXAMFYUHYYBY-UHFFFAOYSA-N -1 3 554.680 5.402 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C2CCCCC2)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027712512 561879936 /nfs/dbraw/zinc/87/99/36/561879936.db2.gz QCHIKUDBAALGIC-DNQXCXABSA-N -1 3 558.672 6.658 1 0 KKAFHM CCCOc1cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(N(CC)C(=O)N([O-])CCC)c1OCCC ZINC000027714122 561879975 /nfs/dbraw/zinc/87/99/75/561879975.db2.gz JRMOIFXCHWTXHO-JWQCQUIFSA-N -1 3 574.715 6.930 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])CCC)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027714695 561880161 /nfs/dbraw/zinc/88/01/61/561880161.db2.gz VKDCKILJFAYCHV-SFTDATJTSA-N -1 3 518.607 5.736 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])Cc2ccccc2)cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027719930 561880480 /nfs/dbraw/zinc/88/04/80/561880480.db2.gz GODQIDMDYBTWQN-DQEYMECFSA-N -1 3 566.651 6.526 1 0 KKAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(Cl)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1[O-] ZINC000027979367 561891471 /nfs/dbraw/zinc/89/14/71/561891471.db2.gz IOJAJDWZXZTPMW-WLZNGNGHSA-N -1 3 544.387 5.533 1 0 KKAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(Br)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)c(Cl)c(OC)c1[O-] ZINC000027984020 561892094 /nfs/dbraw/zinc/89/20/94/561892094.db2.gz MIPHCETUBZPSHX-WLZNGNGHSA-N -1 3 588.838 5.642 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCCCC(C)C ZINC000028100860 561901542 /nfs/dbraw/zinc/90/15/42/561901542.db2.gz YKFUOMURKPODMI-FMGHJNRGSA-N -1 3 502.696 5.529 1 0 KKAFHM CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC(c4nnn[n-]4)CC3)c2)cc1C(F)(F)F ZINC000028355959 561916257 /nfs/dbraw/zinc/91/62/57/561916257.db2.gz LAGKCZDXFAJYPU-UHFFFAOYSA-N -1 3 524.616 6.939 1 0 KKAFHM CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC(c4nn[n-]n4)CC3)c2)cc1C(F)(F)F ZINC000028355959 561916258 /nfs/dbraw/zinc/91/62/58/561916258.db2.gz LAGKCZDXFAJYPU-UHFFFAOYSA-N -1 3 524.616 6.939 1 0 KKAFHM O=C(CCCN1CCN(c2ccccn2)CC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028376446 561919227 /nfs/dbraw/zinc/91/92/27/561919227.db2.gz XYRYSTXFDOHOEK-UHFFFAOYSA-N -1 3 694.179 7.660 1 0 KKAFHM Cc1cc(C(=O)NC2CCCCC2)cc2[n-]c(-c3c(=O)[nH]ccc3NC[C@H](O)c3cccc(Cl)c3)nc21 ZINC000028703693 561947868 /nfs/dbraw/zinc/94/78/68/561947868.db2.gz AMKPHWUXNDGLHA-QHCPKHFHSA-N -1 3 520.033 5.088 1 0 KKAFHM Cc1cc(C(=O)NC2CCCCC2)cc2nc(-c3c(=O)[nH]ccc3NC[C@H](O)c3cccc(Cl)c3)[n-]c21 ZINC000028703693 561947870 /nfs/dbraw/zinc/94/78/70/561947870.db2.gz AMKPHWUXNDGLHA-QHCPKHFHSA-N -1 3 520.033 5.088 1 0 KKAFHM CCCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028757563 561956825 /nfs/dbraw/zinc/95/68/25/561956825.db2.gz RUOWGNIQYLRFQC-UHFFFAOYSA-N -1 3 551.651 5.839 1 0 KKAFHM CCCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028757563 561956827 /nfs/dbraw/zinc/95/68/27/561956827.db2.gz RUOWGNIQYLRFQC-UHFFFAOYSA-N -1 3 551.651 5.839 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](CCc2ccc(C(C)(C)C)cc2)COC(=O)C(C)(C)C)cc(I)c1[O-] ZINC000028881662 561976953 /nfs/dbraw/zinc/97/69/53/561976953.db2.gz GYFGVOFZCMUPMZ-OAQYLSRUSA-N -1 3 626.601 5.858 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)cc(I)c1[O-] ZINC000028881731 561976962 /nfs/dbraw/zinc/97/69/62/561976962.db2.gz PPVRBYRABRHCHT-FQEVSTJZSA-N -1 3 598.547 5.177 1 0 KKAFHM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@H]([N-]S(=O)(=O)c2ccccc2F)C3)cc2ccccc21 ZINC000028949619 561980800 /nfs/dbraw/zinc/98/08/00/561980800.db2.gz LYZPFOMSSIJUAS-JOCHJYFZSA-N -1 3 506.599 5.676 1 0 KKAFHM CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(C=C4SC(=O)[N-]C4=O)ccc3OC(F)(F)F)cc21 ZINC000028952292 561981811 /nfs/dbraw/zinc/98/18/11/561981811.db2.gz HWJYWTWTNWGEPW-JMIUGGIZSA-N -1 3 504.530 5.919 1 0 KKAFHM CC(C)(C)c1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979687 561988306 /nfs/dbraw/zinc/98/83/06/561988306.db2.gz AIAUAKCFSNYUQF-AXDNMFEOSA-N -1 3 516.088 5.457 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3Cl)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029247485 562010859 /nfs/dbraw/zinc/01/08/59/562010859.db2.gz YLFJVEHAPQRFDF-UHFFFAOYSA-N -1 3 652.158 7.355 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3Cl)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029247485 562010861 /nfs/dbraw/zinc/01/08/61/562010861.db2.gz YLFJVEHAPQRFDF-UHFFFAOYSA-N -1 3 652.158 7.355 1 0 KKAFHM CCCc1nc2ccc(N(C(=O)c3ccccc3)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029249478 562011081 /nfs/dbraw/zinc/01/10/81/562011081.db2.gz HXBKIFWJCZAJHA-UHFFFAOYSA-N -1 3 617.713 7.223 1 0 KKAFHM CCCc1nc2ccc(N(C(=O)c3ccccc3)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029249478 562011083 /nfs/dbraw/zinc/01/10/83/562011083.db2.gz HXBKIFWJCZAJHA-UHFFFAOYSA-N -1 3 617.713 7.223 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@@H](OC(=O)C(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029314991 562012374 /nfs/dbraw/zinc/01/23/74/562012374.db2.gz IPZGLXGNRHBOGW-JGCGQSQUSA-N -1 3 618.138 6.390 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@@H](OC(=O)C(C)C)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029314991 562012375 /nfs/dbraw/zinc/01/23/75/562012375.db2.gz IPZGLXGNRHBOGW-JGCGQSQUSA-N -1 3 618.138 6.390 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029411514 562021833 /nfs/dbraw/zinc/02/18/33/562021833.db2.gz AAZOKMBAJGOCHB-INJOXJOKSA-N -1 3 561.690 5.649 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029411514 562021835 /nfs/dbraw/zinc/02/18/35/562021835.db2.gz AAZOKMBAJGOCHB-INJOXJOKSA-N -1 3 561.690 5.649 1 0 KKAFHM CCCC[C@]1(CC)CC(=O)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029474220 562026027 /nfs/dbraw/zinc/02/60/27/562026027.db2.gz RYERKVPGOJTKRK-HXDOWBTDSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCC[C@]1(CC)CC(=O)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029474220 562026028 /nfs/dbraw/zinc/02/60/28/562026028.db2.gz RYERKVPGOJTKRK-HXDOWBTDSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCS(=O)(=O)c1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCC[S@](=O)c1ccc([O-])cc1 ZINC000029545518 562029701 /nfs/dbraw/zinc/02/97/01/562029701.db2.gz MXCWFRGNHBTWKI-VUUZHQJSSA-N -1 3 634.769 5.390 1 0 KKAFHM C[C@@H](OCC1(c2ccccc2)CC(NCc2n[nH]c(=O)[n-]2)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000034380107 562038876 /nfs/dbraw/zinc/03/88/76/562038876.db2.gz BHOBTAHATOPTPK-QDAZHVTCSA-N -1 3 514.470 5.516 1 0 KKAFHM O=C1OC(c2ccc([O-])c(I)c2)(c2ccc(O)c(I)c2)c2c1ccc1ccccc21 ZINC000034801981 562041617 /nfs/dbraw/zinc/04/16/17/562041617.db2.gz AQPFSNJHTLOSID-UHFFFAOYSA-N -1 3 620.180 5.923 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC(Cc4ccccc4)CC3)c(C(=O)NC(C)C)c2)cc1 ZINC000035228087 562044834 /nfs/dbraw/zinc/04/48/34/562044834.db2.gz PHYXGUSVBJYNJK-UHFFFAOYSA-N -1 3 521.683 5.093 1 0 KKAFHM CCCCc1nc2ccc([C@@H](CC)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222145 562051566 /nfs/dbraw/zinc/05/15/66/562051566.db2.gz DGPXDQDRMMOLQQ-HHHXNRCGSA-N -1 3 508.626 5.732 1 0 KKAFHM CCCCc1nc2ccc([C@@H](CC)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222145 562051568 /nfs/dbraw/zinc/05/15/68/562051568.db2.gz DGPXDQDRMMOLQQ-HHHXNRCGSA-N -1 3 508.626 5.732 1 0 KKAFHM CCCC[C@H]1Nc2ccc(Cc3ccccc3)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222181 562051604 /nfs/dbraw/zinc/05/16/04/562051604.db2.gz JPMGTDCYJGXONH-HKBQPEDESA-N -1 3 528.660 6.709 1 0 KKAFHM CCCC[C@H]1Nc2ccc(Cc3ccccc3)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222181 562051606 /nfs/dbraw/zinc/05/16/06/562051606.db2.gz JPMGTDCYJGXONH-HKBQPEDESA-N -1 3 528.660 6.709 1 0 KKAFHM CCCC[C@H]1Nc2ccc(C(C)(C)OC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222127 562051675 /nfs/dbraw/zinc/05/16/75/562051675.db2.gz RBGRJVKBRLZRHD-MHZLTWQESA-N -1 3 510.642 5.999 1 0 KKAFHM CCCC[C@H]1Nc2ccc(C(C)(C)OC)cc2C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222127 562051676 /nfs/dbraw/zinc/05/16/76/562051676.db2.gz RBGRJVKBRLZRHD-MHZLTWQESA-N -1 3 510.642 5.999 1 0 KKAFHM CCCCc1nc2ccc([C@H]3ON4CCC[C@H]4[C@H]3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222569 562051769 /nfs/dbraw/zinc/05/17/69/562051769.db2.gz FYIRUXBRHOVWLN-JIZBBPSKSA-N -1 3 619.726 5.265 1 0 KKAFHM CCCCc1nc2ccc([C@H]3ON4CCC[C@H]4[C@H]3C(=O)OCC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222569 562051771 /nfs/dbraw/zinc/05/17/71/562051771.db2.gz FYIRUXBRHOVWLN-JIZBBPSKSA-N -1 3 619.726 5.265 1 0 KKAFHM CCCC[C@@H](CC)C(=O)[N-]C(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C ZINC000040414006 562075615 /nfs/dbraw/zinc/07/56/15/562075615.db2.gz CRDFGMDEIKJBLH-MRXNPFEDSA-N -1 3 506.861 7.281 1 0 KKAFHM COc1c(OCCc2ccccc2)c(Cc2cc[nH]c2)c2oc(-c3ccc([O-])cc3)cc(=O)c2c1OCCCO ZINC000103533348 560050902 /nfs/dbraw/zinc/05/09/02/560050902.db2.gz QUKJZVJDQYHNLE-UHFFFAOYSA-N -1 3 540.592 5.262 1 0 biogenic,in-vitro KKAFHM CC(C)[C@@H](C)CC(=O)Oc1c(O)c(-c2ccc(O)cc2)c(OC(=O)c2ccc([O-])cc2)c(O)c1-c1ccc(O)cc1 ZINC000085921674 560066420 /nfs/dbraw/zinc/06/64/20/560066420.db2.gz IXNCXNGAGCSAMG-SFHVURJKSA-N -1 3 558.583 6.355 1 0 biogenic,in-vitro KKAFHM CCCCc1nc(Cl)c(COC(=O)c2cccc([C@H](C)O[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000043523595 562648841 /nfs/dbraw/zinc/64/88/41/562648841.db2.gz SJXSPMFWTGLMIE-FQEVSTJZSA-N -1 3 616.078 6.401 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2cccc([C@H](C)O[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000043523595 562648842 /nfs/dbraw/zinc/64/88/42/562648842.db2.gz SJXSPMFWTGLMIE-FQEVSTJZSA-N -1 3 616.078 6.401 1 0 KKAFHM CCC[C@H](C(=O)[N-]OC)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O ZINC000043524083 562648946 /nfs/dbraw/zinc/64/89/46/562648946.db2.gz FUGIQNNOSLFAKZ-IARZGTGTSA-N -1 3 537.701 5.232 1 0 KKAFHM COc1cc([O-])c([C@@H]2C[C@H](CCc3ccc(O)cc3)O[C@H](c3ccc(O)cc3)C2)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000044305751 562653537 /nfs/dbraw/zinc/65/35/37/562653537.db2.gz JHPJOKVLYIDVMB-XHCLBPLVSA-N -1 3 582.649 6.861 1 0 biogenic,in-vitro KKAFHM COc1cc([O-])c([C@H]2C[C@H](c3ccc(O)cc3)O[C@@H](CCc3ccc(O)cc3)C2)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000044351805 562654868 /nfs/dbraw/zinc/65/48/68/562654868.db2.gz JHPJOKVLYIDVMB-LXHQFIBLSA-N -1 3 582.649 6.861 1 0 KKAFHM O=C(CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[n-]1)CCCC3=Cc1ccc(Cl)cc1)c1ccccc1 ZINC000044430530 562657562 /nfs/dbraw/zinc/65/75/62/562657562.db2.gz KWNGKJOMGJZKHI-XLNRJJMWSA-N -1 3 584.528 8.144 1 0 KKAFHM COc1ccc(-c2cc(C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H]3CCCc4ccccc43)ccc2[O-])cc1 ZINC000045195505 562658875 /nfs/dbraw/zinc/65/88/75/562658875.db2.gz LZBVDKFRCXYWSL-IHLOFXLRSA-N -1 3 526.677 6.330 1 0 KKAFHM O=C(NCCCc1ccccc1)c1csc([C@@H]2CCCN(C(=O)c3ccc([O-])c(-c4ccccc4)c3)C2)n1 ZINC000045317382 562660866 /nfs/dbraw/zinc/66/08/66/562660866.db2.gz RZTVGACMBGGUGB-RUZDIDTESA-N -1 3 525.674 5.898 1 0 KKAFHM O=C(NCCCc1ccccc1)c1csc([C@H]2CCCN(C(=O)c3ccc([O-])c(-c4ccccc4)c3)C2)n1 ZINC000045317386 562660893 /nfs/dbraw/zinc/66/08/93/562660893.db2.gz RZTVGACMBGGUGB-VWLOTQADSA-N -1 3 525.674 5.898 1 0 KKAFHM CC[C@@H]1[C@@H](C)CN(c2nc3cc(C)c(C)cc3n2CC(=O)c2cc(C(C)(C)C)c([O-])c(C(C)(C)C)c2)[C@@H]1C ZINC000045368790 562662187 /nfs/dbraw/zinc/66/21/87/562662187.db2.gz UJYZSAKJRRAVME-WMTXJRDZSA-N -1 3 517.758 7.707 1 0 KKAFHM [O-]c1ccc(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2C=Nc2ccc(Cl)cc2)cc1 ZINC000049116570 562664733 /nfs/dbraw/zinc/66/47/33/562664733.db2.gz MKWIWIWLRIKLJP-AZUOUTSGSA-N -1 3 503.454 8.663 1 0 KKAFHM O=C(NCC1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049605090 562665333 /nfs/dbraw/zinc/66/53/33/562665333.db2.gz NTWNZXPZZUWREI-BNMCDZCRSA-N -1 3 551.514 7.096 1 0 KKAFHM O=C(NCCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000049605245 562665575 /nfs/dbraw/zinc/66/55/75/562665575.db2.gz MREXSGMIONWXTR-LJQANCHMSA-N -1 3 566.312 6.884 1 0 KKAFHM O=C(NCc1cccc2ccccc21)[C@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000049605231 562665590 /nfs/dbraw/zinc/66/55/90/562665590.db2.gz NAIQKOZFXHIHQB-QHCPKHFHSA-N -1 3 533.455 6.688 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NCc1cccc(C(F)(F)F)c1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049605388 562665801 /nfs/dbraw/zinc/66/58/01/562665801.db2.gz NTENZOLSKORBKI-SANMLTNESA-N -1 3 593.473 7.770 1 0 KKAFHM CC(=O)Nc1ccc(CN2CCc3ccc([N-]S(=O)(=O)c4ccc(-c5cccc(C(F)(F)F)c5)cc4)cc3CC2)s1 ZINC000049625699 562666829 /nfs/dbraw/zinc/66/68/29/562666829.db2.gz VJWRKIPITVFNSA-UHFFFAOYSA-N -1 3 599.700 6.794 1 0 KKAFHM CCOC(=O)[C@@H]1[C@H](c2ccccc2Br)N(C)[C@H](c2ccccc2Br)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000049694733 562669707 /nfs/dbraw/zinc/66/97/07/562669707.db2.gz FXIQVIUXZIBHOR-RYJQUDHMSA-N -1 3 669.819 6.191 1 0 KKAFHM O=C([O-])Cc1ccc2oc(CCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cc2c1 ZINC000049695242 562670316 /nfs/dbraw/zinc/67/03/16/562670316.db2.gz AANMNNSUDXTLGF-UHFFFAOYSA-N -1 3 592.057 8.609 1 0 KKAFHM O=C1[N-]C(=O)C(=Cc2cc(Br)ccc2OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1 ZINC000049709664 562671376 /nfs/dbraw/zinc/67/13/76/562671376.db2.gz FZRDTEBLFOXQQJ-UUASQNMZSA-N -1 3 526.252 6.390 1 0 KKAFHM CCCCc1ncc(COC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000049710214 562671559 /nfs/dbraw/zinc/67/15/59/562671559.db2.gz MNJMLCXSLBFGDW-PSXMRANNSA-N -1 3 620.754 6.579 1 0 KKAFHM CCCCc1ncc(COC(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000049710214 562671560 /nfs/dbraw/zinc/67/15/60/562671560.db2.gz MNJMLCXSLBFGDW-PSXMRANNSA-N -1 3 620.754 6.579 1 0 KKAFHM C[C@@H](CCOc1cccc(CC(=O)[O-])c1)N(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000049723210 562673056 /nfs/dbraw/zinc/67/30/56/562673056.db2.gz ZLJZDYOBXVOTSA-DEOSSOPVSA-N -1 3 596.089 8.478 1 0 KKAFHM CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(=O)Nc5ccccc5[O-])cc4F)c3s2)c1 ZINC000049723351 562673264 /nfs/dbraw/zinc/67/32/64/562673264.db2.gz ZSXQYYKWSXJOSG-UHFFFAOYSA-N -1 3 531.569 5.784 1 0 KKAFHM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(CC3CCCCC3)cc(-c3ccccc3)n2)CC1 ZINC000049746513 562674465 /nfs/dbraw/zinc/67/44/65/562674465.db2.gz VPNRFNXGBHPYEB-NDEPHWFRSA-N -1 3 606.764 5.306 1 0 KKAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000049748884 562674758 /nfs/dbraw/zinc/67/47/58/562674758.db2.gz SWIIRZLODRMSEB-JVCXMKTPSA-N -1 3 535.555 5.162 1 0 KKAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2cccc(C(F)(F)F)c2)s1 ZINC000049748884 562674759 /nfs/dbraw/zinc/67/47/59/562674759.db2.gz SWIIRZLODRMSEB-JVCXMKTPSA-N -1 3 535.555 5.162 1 0 KKAFHM CC1(C)C[C@@H]([N-]C(=O)C(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2O1 ZINC000049781424 562683077 /nfs/dbraw/zinc/68/30/77/562683077.db2.gz MCGIWMYXNXWIGG-HXUWFJFHSA-N -1 3 541.809 6.722 1 0 KKAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000049882034 562691278 /nfs/dbraw/zinc/69/12/78/562691278.db2.gz NQDICTNUCQLRBJ-JVCXMKTPSA-N -1 3 535.555 5.162 1 0 KKAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000049882034 562691279 /nfs/dbraw/zinc/69/12/79/562691279.db2.gz NQDICTNUCQLRBJ-JVCXMKTPSA-N -1 3 535.555 5.162 1 0 KKAFHM C[C@@H]1CCC[C@H](C)N1CCS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898557 562692630 /nfs/dbraw/zinc/69/26/30/562692630.db2.gz LKHXERLHWRRRTM-QRRGNZNSSA-N -1 3 726.383 8.531 1 0 KKAFHM C[C@@H]1CCCN1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898814 562692865 /nfs/dbraw/zinc/69/28/65/562692865.db2.gz QMRCDMLDODYQSL-MUUNZHRXSA-N -1 3 700.301 7.198 1 0 KKAFHM C[C@H]1CCCN1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898815 562692888 /nfs/dbraw/zinc/69/28/88/562692888.db2.gz QMRCDMLDODYQSL-NDEPHWFRSA-N -1 3 700.301 7.198 1 0 KKAFHM Cn1c2ccccc2nc1NC(=O)c1ccc(CNC(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000049917562 562693566 /nfs/dbraw/zinc/69/35/66/562693566.db2.gz HVJQINIVXPKXCK-UHFFFAOYSA-N -1 3 545.426 6.435 1 0 KKAFHM CC(C)(CCCn1c(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000058582841 562699988 /nfs/dbraw/zinc/69/99/88/562699988.db2.gz RVGKRCXQMMZTLZ-UHFFFAOYSA-N -1 3 688.096 7.619 1 0 KKAFHM COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc([O-])c1/C=C/c1ccc(N)cc1 ZINC000058583966 562700190 /nfs/dbraw/zinc/70/01/90/562700190.db2.gz IQVHTGVPYWGSEU-BXMREXCWSA-N -1 3 541.688 6.823 1 0 KKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@H]2CCCC[C@H]2C2CCCCC2)C1 ZINC000058685298 562701527 /nfs/dbraw/zinc/70/15/27/562701527.db2.gz SHDHBLVWXCEYRQ-IGKQJQGVSA-N -1 3 536.716 7.652 1 0 KKAFHM O=C(N[C@@H](CCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1)OCC1c2ccccc2-c2ccccc21 ZINC000064548561 562707845 /nfs/dbraw/zinc/70/78/45/562707845.db2.gz VNSWYGUIBFNLFI-HEVIKAOCSA-N -1 3 612.730 6.667 1 0 KKAFHM CC(C)=CCC/C(C)=C/COc1cc2oc(-c3ccccc3)cc(=O)c2c([O-])c1C/C=C(\C)CCC=C(C)C ZINC000064553403 562708263 /nfs/dbraw/zinc/70/82/63/562708263.db2.gz IECVUJPVVPCJLO-AIPLHGNWSA-N -1 3 526.717 9.472 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@@H](C)OC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072113315 562722306 /nfs/dbraw/zinc/72/23/06/562722306.db2.gz OOMYEOHGVHHTBY-NRFANRHFSA-N -1 3 594.672 5.318 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@@H](C)OC(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072113315 562722307 /nfs/dbraw/zinc/72/23/07/562722307.db2.gz OOMYEOHGVHHTBY-NRFANRHFSA-N -1 3 594.672 5.318 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3cccs3)cccc2C1=O ZINC000072134949 562727423 /nfs/dbraw/zinc/72/74/23/562727423.db2.gz PLXZFLBPNWRZHQ-FVBCXUTKSA-N -1 3 619.809 5.568 3 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000072139873 562729099 /nfs/dbraw/zinc/72/90/99/562729099.db2.gz XXUPRIHOKUSPRT-FYZNHFMZSA-N -1 3 690.879 5.396 3 0 KKAFHM CCCCNc1ccc2c(c1)[N-]C(=S)[C@H](c1ccc(Cl)cc1)N([C@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073139790 562733501 /nfs/dbraw/zinc/73/35/01/562733501.db2.gz NELKOIHGMMKSKX-DQEYMECFSA-N -1 3 556.515 7.056 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC(C)C)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073139778 562733527 /nfs/dbraw/zinc/73/35/27/562733527.db2.gz AWDKTLMYWKHMKD-JWQCQUIFSA-N -1 3 556.515 6.912 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccsc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073140145 562733572 /nfs/dbraw/zinc/73/35/72/562733572.db2.gz ORQSRWQAMDJMDY-UIOOFZCWSA-N -1 3 596.561 7.518 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC3CC3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073141700 562733707 /nfs/dbraw/zinc/73/37/07/562733707.db2.gz QGSMGBYZDNINDT-JWQCQUIFSA-N -1 3 554.499 6.666 1 0 KKAFHM O=C(NCCN1CCCCC1)c1ccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000073168314 562734663 /nfs/dbraw/zinc/73/46/63/562734663.db2.gz MOOYUABRDQDAPY-UHFFFAOYSA-N -1 3 582.937 6.456 1 0 KKAFHM C[C@H](C(=O)NCC=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000073239772 562736831 /nfs/dbraw/zinc/73/68/31/562736831.db2.gz PBVKWGIXRSBAFV-INIZCTEOSA-N -1 3 521.441 5.856 1 0 KKAFHM CCCCc1cc(I)c([O-])c(-c2cc(CCCC)cc(I)c2O)c1 ZINC000073295815 562737709 /nfs/dbraw/zinc/73/77/09/562737709.db2.gz CJJVPYJMNASWCO-UHFFFAOYSA-N -1 3 550.218 6.659 1 0 KKAFHM COc1cc(/C=C/c2cc(F)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc([O-])c1C/C=C(\C)CCC=C(C)C ZINC000082152950 562740107 /nfs/dbraw/zinc/74/01/07/562740107.db2.gz UCHOWJRJTPGYBQ-KFNWDQBUSA-N -1 3 548.739 8.436 1 0 KKAFHM CSCC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4OCCO)n3c2)n(-c2ccc([O-])c(Cl)c2)n1 ZINC000082157509 562740895 /nfs/dbraw/zinc/74/08/95/562740895.db2.gz CTUBBCHAZDUHPK-UHFFFAOYSA-N -1 3 730.316 7.426 1 0 KKAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084617265 562744827 /nfs/dbraw/zinc/74/48/27/562744827.db2.gz KWNOUBVBEBGONG-LJQANCHMSA-N -1 3 623.709 5.668 1 0 KKAFHM CC(C)(C)C(=O)OC[C@@H](CCc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000084668682 562747689 /nfs/dbraw/zinc/74/76/89/562747689.db2.gz POAIXNAMABBBQC-JOCHJYFZSA-N -1 3 565.777 5.050 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687663 562748999 /nfs/dbraw/zinc/74/89/99/562748999.db2.gz ROCKDFSXPIQWDD-RTWAWAEBSA-N -1 3 519.837 6.498 1 0 KKAFHM CCc1c(CN2CC(C(=O)[O-])C2)cccc1-c1nsc(-c2ccc(OC(C)C)c(C(F)(F)F)c2)n1 ZINC000084688160 562749069 /nfs/dbraw/zinc/74/90/69/562749069.db2.gz CEKCAQQMOZBUJZ-UHFFFAOYSA-N -1 3 505.562 5.757 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)c(F)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688001 562749088 /nfs/dbraw/zinc/74/90/88/562749088.db2.gz WRYKQKGTDQVJIF-LEWJYISDSA-N -1 3 521.372 6.122 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000084689649 562749399 /nfs/dbraw/zinc/74/93/99/562749399.db2.gz NLDNWZLFIYLVPW-NHCUHLMSSA-N -1 3 553.389 6.863 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690622 562749694 /nfs/dbraw/zinc/74/96/94/562749694.db2.gz NEXMNIQEJWBCSO-NHCUHLMSSA-N -1 3 519.837 6.498 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@H]1c1ccc(OC)cc1 ZINC000084742224 562752253 /nfs/dbraw/zinc/75/22/53/562752253.db2.gz JYOIWJYTIQLODF-FGZHOGPDSA-N -1 3 515.418 5.853 1 0 KKAFHM COc1cc2ncnc(Oc3cccc(NC(=O)[N-]c4cc(C(C)(C)C(F)(F)F)no4)c3)c2cc1OC ZINC000084758510 562752646 /nfs/dbraw/zinc/75/26/46/562752646.db2.gz XBOWKGDSLPGIEK-UHFFFAOYSA-N -1 3 517.464 5.911 1 0 KKAFHM COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4CCCC(=O)[O-])CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC ZINC000095545511 562758127 /nfs/dbraw/zinc/75/81/27/562758127.db2.gz KVYXGCNCFPIESF-LDLOPFEMSA-N -1 3 751.708 7.003 1 0 KKAFHM CSCC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(-c2ccc([O-])c(Cl)c2)n1 ZINC000095548770 562759468 /nfs/dbraw/zinc/75/94/68/562759468.db2.gz AIDYWNSHBSIDAN-UHFFFAOYSA-N -1 3 746.384 8.139 1 0 KKAFHM C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc([O-])c(Br)c2)NC(=O)[C@@H](Cc2c(Br)[nH]c3ccccc32)N(C)C(=O)[C@H](C)NC(=O)[C@@H](C)C1 ZINC000095551694 562760398 /nfs/dbraw/zinc/76/03/98/562760398.db2.gz LAIMZLKDQQEQSN-XHAFUQONSA-N -1 3 788.578 6.464 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095568099 562766326 /nfs/dbraw/zinc/76/63/26/562766326.db2.gz WIZIKPIPUSFIQI-HHPFYWKMSA-N -1 3 728.840 5.315 3 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568287 562766427 /nfs/dbraw/zinc/76/64/27/562766427.db2.gz JQXCVRFSCSGTFT-NPKFRGRUSA-N -1 3 634.626 5.384 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568268 562766439 /nfs/dbraw/zinc/76/64/39/562766439.db2.gz MLNWPGCJBNVZPL-NJQVLOCASA-N -1 3 706.265 5.327 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095568897 562766985 /nfs/dbraw/zinc/76/69/85/562766985.db2.gz MGXDQALVEHELJP-WURXVLGASA-N -1 3 620.599 5.455 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095570909 562768597 /nfs/dbraw/zinc/76/85/97/562768597.db2.gz KMMQDOVCDINFEJ-IKXMMLORSA-N -1 3 657.833 5.869 1 0 KKAFHM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](C)C(=O)OCCN(C)C)c(C)c3)c2)c(C)cc1Cl ZINC000095571596 562769174 /nfs/dbraw/zinc/76/91/74/562769174.db2.gz YAOJYGJVQGNNLZ-QHCPKHFHSA-N -1 3 600.181 5.607 1 0 KKAFHM Cc1cn([C@H]2CCCN([C@H](CC3CCCCC3)c3ccc(C(=O)[O-])c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095578144 562771166 /nfs/dbraw/zinc/77/11/66/562771166.db2.gz KIAAPOUCAAGGMQ-RPLLCQBOSA-N -1 3 566.098 6.338 1 0 KKAFHM O=S(=O)([N-]c1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cccc(CN3CCC3)c2)cc1F ZINC000095584188 562773178 /nfs/dbraw/zinc/77/31/78/562773178.db2.gz WNOWJORROBGRSP-UHFFFAOYSA-N -1 3 565.479 6.450 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@H](C)OC(=O)OC2CCCCC2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000095591199 562775526 /nfs/dbraw/zinc/77/55/26/562775526.db2.gz DGSVWHMOQKIGBQ-NRFANRHFSA-N -1 3 616.719 5.947 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@H](C)OC(=O)OC2CCCCC2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000095591199 562775527 /nfs/dbraw/zinc/77/55/27/562775527.db2.gz DGSVWHMOQKIGBQ-NRFANRHFSA-N -1 3 616.719 5.947 1 0 KKAFHM COc1ccc(C(OCCN2C[C@@](O)(c3ccc(OC)cc3)C[C@H]2CC(=O)[O-])(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095597560 562777267 /nfs/dbraw/zinc/77/72/67/562777267.db2.gz FADFTISNLYTMHU-JRYPVQGPSA-N -1 3 627.734 5.466 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095599186 562777831 /nfs/dbraw/zinc/77/78/31/562777831.db2.gz CBAAPWVHONFTKW-TWQFHJJKSA-N -1 3 724.843 6.039 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599516 562778089 /nfs/dbraw/zinc/77/80/89/562778089.db2.gz HEADYOFXZPTIAZ-XHJPHHBRSA-N -1 3 752.828 6.605 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601246 562779471 /nfs/dbraw/zinc/77/94/71/562779471.db2.gz QMCFBRPLMVFDBX-FXKJGQKXSA-N -1 3 740.285 7.087 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095604102 562780862 /nfs/dbraw/zinc/78/08/62/562780862.db2.gz GPNKKMTZNNIEAP-ZUDLYUOYSA-N -1 3 683.843 5.123 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095604354 562780986 /nfs/dbraw/zinc/78/09/86/562780986.db2.gz ZCVYHUVHDQCFKB-GJWZSCNASA-N -1 3 752.352 5.266 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095604844 562781241 /nfs/dbraw/zinc/78/12/41/562781241.db2.gz KOTALHGNILEDKF-CBUCOWSNSA-N -1 3 748.865 6.774 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc3ccccc32)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605117 562781348 /nfs/dbraw/zinc/78/13/48/562781348.db2.gz HLACSLXCJWOJFV-XCYPXZQJSA-N -1 3 734.891 6.739 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095605160 562781431 /nfs/dbraw/zinc/78/14/31/562781431.db2.gz LGFCYAUQAJYOOY-QNBZCSHPSA-N -1 3 711.869 6.495 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095818872 562789259 /nfs/dbraw/zinc/78/92/59/562789259.db2.gz MCLYKCAHKFGNAQ-WGKZYHDKSA-N -1 3 728.809 6.975 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095822859 562789280 /nfs/dbraw/zinc/78/92/80/562789280.db2.gz JQXCVRFSCSGTFT-VDZJOXJSSA-N -1 3 634.626 5.384 1 0 KKAFHM COCCN1CCN(c2ccc3ncnc(Sc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)CC1 ZINC000096175775 562791966 /nfs/dbraw/zinc/79/19/66/562791966.db2.gz GBJRKMAQFYMVGO-UHFFFAOYSA-N -1 3 693.896 5.183 1 0 KKAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@H]4CCN(C)C4)nc32)c1 ZINC000096175757 562791973 /nfs/dbraw/zinc/79/19/73/562791973.db2.gz FJWLTICFCATXQI-NRFANRHFSA-N -1 3 617.776 5.426 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270896 562793486 /nfs/dbraw/zinc/79/34/86/562793486.db2.gz CAYKUYIDYUAWPI-CQSZACIVSA-N -1 3 559.969 5.263 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270916 562793537 /nfs/dbraw/zinc/79/35/37/562793537.db2.gz RXHMBUWWKUMPRB-WIYYLYMNSA-N -1 3 646.704 5.589 1 0 KKAFHM Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(Cc3ccc(C(=O)[O-])cc3)C[C@H]2c2ccccc2)CC1 ZINC000096285384 562795597 /nfs/dbraw/zinc/79/55/97/562795597.db2.gz KDKOAYRCXAQUFY-IADCTJSHSA-N -1 3 618.178 5.702 1 0 KKAFHM Cc1ccc(C2=C(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 ZINC000096285844 562795907 /nfs/dbraw/zinc/79/59/07/562795907.db2.gz AGFBRJLGKYFTAT-LJAQVGFWSA-N -1 3 644.576 6.266 1 0 KKAFHM Cc1ccc(C2=C(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 ZINC000096285844 562795908 /nfs/dbraw/zinc/79/59/08/562795908.db2.gz AGFBRJLGKYFTAT-LJAQVGFWSA-N -1 3 644.576 6.266 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286068 562795975 /nfs/dbraw/zinc/79/59/75/562795975.db2.gz NQVHJCBBCBFEOW-AWEZNQCLSA-N -1 3 576.037 5.977 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1cccs1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286057 562796012 /nfs/dbraw/zinc/79/60/12/562796012.db2.gz RVHDDLPITWNHNT-CYBMUJFWSA-N -1 3 547.621 5.385 1 0 KKAFHM C[C@H]1CO[C@]2(C)Oc3c(c([O-])c(Cc4c(O)c5c(c6c4O[C@@]4(C)OC[C@H](C)[C@H]4C6)O[C@@]4(C)OC[C@H](C)[C@H]4C5)c4c3C[C@@H]3[C@@H](C)CO[C@]3(C)O4)C[C@H]12 ZINC000096903719 562798009 /nfs/dbraw/zinc/79/80/09/562798009.db2.gz IRTGBDDFMRCWQW-IQBFSUDCSA-N -1 3 704.857 6.423 1 0 KKAFHM CC(C)N(C([O-])=NC(=O)c1c(F)cccc1F)c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000103197287 562815920 /nfs/dbraw/zinc/81/59/20/562815920.db2.gz CERJSEZPMQDHFI-UHFFFAOYSA-N -1 3 582.740 7.896 1 0 KKAFHM CC(C)N(C(=O)[N-]C(=O)c1c(F)cccc1F)c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000103197287 562815921 /nfs/dbraw/zinc/81/59/21/562815921.db2.gz CERJSEZPMQDHFI-UHFFFAOYSA-N -1 3 582.740 7.896 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)cnc32)[C@H]1c1cccc(Cl)c1F ZINC000103254035 562820606 /nfs/dbraw/zinc/82/06/06/562820606.db2.gz IJIGMWANDSKYOG-CMWYWCLMSA-N -1 3 615.489 5.623 1 0 KKAFHM Cc1ccc(C[C@@H](CCCSc2ccc(C[NH2+]CCCP(=O)([O-])[O-])cc2)c2cc(F)cc(F)c2)cc1C ZINC000103256040 562820774 /nfs/dbraw/zinc/82/07/74/562820774.db2.gz RTLDMXLBQDYSBI-RUZDIDTESA-N -1 3 547.648 7.138 1 0 KKAFHM Fc1cc(C(F)(F)F)cc([C@](Cc2ccccc2)([N-]c2nc3ccccc3o2)c2ccc(Cl)cn2)c1 ZINC000103264089 562821884 /nfs/dbraw/zinc/82/18/84/562821884.db2.gz QPVKVNVEJJVJMG-SANMLTNESA-N -1 3 511.906 7.633 1 0 KKAFHM CN(C)CCNC(=O)c1ccc(-c2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cc1 ZINC000114036107 562827029 /nfs/dbraw/zinc/82/70/29/562827029.db2.gz CAKVUGPKQXRXBI-UHFFFAOYSA-N -1 3 548.470 6.465 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC4CCC(N5CCC(F)(F)C5)CC4)c3c2)cc(Cl)c1[O-] ZINC000114037821 562827273 /nfs/dbraw/zinc/82/72/73/562827273.db2.gz UBFHRBSHNDAYIC-UHFFFAOYSA-N -1 3 556.053 6.926 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cnn(C2CCN(C)CC2)c1 ZINC000114037887 562827285 /nfs/dbraw/zinc/82/72/85/562827285.db2.gz MXCQCHYDYFMOPM-UHFFFAOYSA-N -1 3 510.425 6.324 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1NC1CCN(CCN(C)C)CC1 ZINC000114038618 562827327 /nfs/dbraw/zinc/82/73/27/562827327.db2.gz ADHBMAWHFNATSK-UHFFFAOYSA-N -1 3 501.458 5.555 1 0 KKAFHM CC(C)(C)S(=O)(=O)[N-]c1ccc(-c2c(C(N)=O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)cn1 ZINC000114139346 562827811 /nfs/dbraw/zinc/82/78/11/562827811.db2.gz LGVQOXBATOUAJK-UHFFFAOYSA-N -1 3 538.592 5.588 1 0 KKAFHM CCOc1cc(CN2CCC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114356513 562828190 /nfs/dbraw/zinc/82/81/90/562828190.db2.gz RXJQADLHFADIBA-YTTGMZPUSA-N -1 3 562.638 6.370 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](c2ccccc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138722870 562832131 /nfs/dbraw/zinc/83/21/31/562832131.db2.gz CRYUDAWLVJDEPD-RUZDIDTESA-N -1 3 578.632 5.296 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](Cc2ccccc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138709337 562832165 /nfs/dbraw/zinc/83/21/65/562832165.db2.gz CQRNFKZUIPAJDW-QHCPKHFHSA-N -1 3 592.659 5.490 1 0 KKAFHM CC(C)(C)OC(=O)C[C@@H](CN1CCc2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2ccccc2o1 ZINC000139404266 562832500 /nfs/dbraw/zinc/83/25/00/562832500.db2.gz RFTWUDRKAGUCMY-AHWVRZQESA-N -1 3 564.702 5.997 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145701582 562837495 /nfs/dbraw/zinc/83/74/95/562837495.db2.gz UHGQBIWWGFIPOI-MRXNPFEDSA-N -1 3 529.600 5.262 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145869418 562837744 /nfs/dbraw/zinc/83/77/44/562837744.db2.gz DCJSHGMLIUPDKF-KXKDPZRNSA-N -1 3 527.584 5.624 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145973883 562837874 /nfs/dbraw/zinc/83/78/74/562837874.db2.gz VNEPEMBLAATKHM-AWEZNQCLSA-N -1 3 512.500 5.442 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(C(=O)c1ccc(F)cc1)CC2 ZINC000146038421 562837989 /nfs/dbraw/zinc/83/79/89/562837989.db2.gz XTSYILHHSBYBSJ-UHFFFAOYSA-N -1 3 513.548 5.407 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146245797 562838406 /nfs/dbraw/zinc/83/84/06/562838406.db2.gz FLSKKDMRWPQVNE-INIZCTEOSA-N -1 3 515.573 5.016 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146245379 562838408 /nfs/dbraw/zinc/83/84/08/562838408.db2.gz AOKIGLGDJYWRRO-INIZCTEOSA-N -1 3 551.606 5.995 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146432734 562838537 /nfs/dbraw/zinc/83/85/37/562838537.db2.gz XYURIWHHSMXYGJ-CQSZACIVSA-N -1 3 503.562 5.010 1 0 KKAFHM COc1ccc(C(OC[C@H]2O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]2C)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150604428 562847705 /nfs/dbraw/zinc/84/77/05/562847705.db2.gz QFAHBGKDHPIJEW-KSCXJQRSSA-N -1 3 654.501 5.091 1 0 KKAFHM CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2[O-])s1 ZINC000169295775 562852410 /nfs/dbraw/zinc/85/24/10/562852410.db2.gz BOJXJAUATKURGA-ZCGOYUJASA-N -1 3 525.490 5.970 1 0 KKAFHM CCCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324795 562857480 /nfs/dbraw/zinc/85/74/80/562857480.db2.gz JYQAUFQGEAGZRR-UHFFFAOYSA-N -1 3 543.631 5.651 1 0 KKAFHM CCCOc1nc2cccc(C(=O)NCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324795 562857481 /nfs/dbraw/zinc/85/74/81/562857481.db2.gz JYQAUFQGEAGZRR-UHFFFAOYSA-N -1 3 543.631 5.651 1 0 KKAFHM COc1cc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc(OC)c1OC ZINC000169339705 562860448 /nfs/dbraw/zinc/86/04/48/562860448.db2.gz GSDVAVAVINCODP-PMERELPUSA-N -1 3 643.766 5.322 1 0 KKAFHM Cc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc1 ZINC000169339693 562860456 /nfs/dbraw/zinc/86/04/56/562860456.db2.gz YYPLMECASAHAAZ-WJOKGBTCSA-N -1 3 567.715 5.605 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=S)NCc4ccccc4)cc3)[C@H](c3ccccc3Cl)C2)cc1 ZINC000169339727 562860479 /nfs/dbraw/zinc/86/04/79/562860479.db2.gz QQYYCLHUDLWINO-PMERELPUSA-N -1 3 604.201 6.115 1 0 KKAFHM CCCCC(CCCC)[C@@H]1C(=C([O-])c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694817 562865618 /nfs/dbraw/zinc/86/56/18/562865618.db2.gz DLBSADYRTNZKDY-KAYWLYCHSA-N -1 3 502.611 5.614 1 0 KKAFHM CCCCC(CCCC)[C@@H]1C(C(=O)c2ccc(CO)cc2)=C([O-])C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694817 562865619 /nfs/dbraw/zinc/86/56/19/562865619.db2.gz DLBSADYRTNZKDY-KAYWLYCHSA-N -1 3 502.611 5.614 1 0 KKAFHM O=C1C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H](C2CCCCC2)C1=C([O-])c1ccc(Br)cc1 ZINC000169694852 562865669 /nfs/dbraw/zinc/86/56/69/562865669.db2.gz LGLKQEOSBZQPJD-PKTZIBPZSA-N -1 3 507.384 5.468 1 0 KKAFHM COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695722 562865814 /nfs/dbraw/zinc/86/58/14/562865814.db2.gz HKHJBNPXHHONJN-SXOMAYOGSA-N -1 3 505.636 5.637 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N3CCOCC3)cc2)cs1 ZINC000169696436 562866058 /nfs/dbraw/zinc/86/60/58/562866058.db2.gz RQEOHLMIPYZKQS-VSGBNLITSA-N -1 3 544.673 5.084 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000169696432 562866082 /nfs/dbraw/zinc/86/60/82/562866082.db2.gz NZRZNSFGOKNWKN-AOYPEHQESA-N -1 3 518.635 5.572 1 0 KKAFHM COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696670 562866182 /nfs/dbraw/zinc/86/61/82/562866182.db2.gz PAYUPMDZXNJZNZ-RPWUZVMVSA-N -1 3 506.624 5.032 1 0 KKAFHM COCCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696677 562866192 /nfs/dbraw/zinc/86/61/92/562866192.db2.gz KSINMFIWFMBYFM-DNQXCXABSA-N -1 3 506.624 5.032 1 0 KKAFHM COCCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696669 562866210 /nfs/dbraw/zinc/86/62/10/562866210.db2.gz PAYUPMDZXNJZNZ-DNQXCXABSA-N -1 3 506.624 5.032 1 0 KKAFHM CCN(C)C(=O)c1ncccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696694 562866236 /nfs/dbraw/zinc/86/62/36/562866236.db2.gz DNVBOEMCMAUILF-AHWVRZQESA-N -1 3 517.651 5.099 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(C(F)(F)F)cc4)CC3)OC2=O)cc1 ZINC000169702626 562868449 /nfs/dbraw/zinc/86/84/49/562868449.db2.gz CUUFGUAMONOHFX-UHFFFAOYSA-N -1 3 582.623 6.764 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])c(Cl)c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702638 562868510 /nfs/dbraw/zinc/86/85/10/562868510.db2.gz QBEQKIDUVCBFPU-UHFFFAOYSA-N -1 3 583.056 6.633 1 0 KKAFHM O=C([O-])[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)O[C@@H](c1cc(Cl)cc(Cl)c1)c1cccnc12 ZINC000169703940 562868920 /nfs/dbraw/zinc/86/89/20/562868920.db2.gz LRAVDJRDDIEAQM-YADHBBJMSA-N -1 3 553.364 6.524 1 0 KKAFHM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(-c5nnn[n-]5)ccc43)s2)c1 ZINC000169704402 562868955 /nfs/dbraw/zinc/86/89/55/562868955.db2.gz LTQRMWRBFPARCM-VWLOTQADSA-N -1 3 550.570 5.423 1 0 KKAFHM Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2cnc([C@]3(O)CCCc4cc(-c5nn[n-]n5)ccc43)s2)c1 ZINC000169704402 562868956 /nfs/dbraw/zinc/86/89/56/562868956.db2.gz LTQRMWRBFPARCM-VWLOTQADSA-N -1 3 550.570 5.423 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)cc1Cl ZINC000202735105 562873917 /nfs/dbraw/zinc/87/39/17/562873917.db2.gz DDMZLHLLAGGIKH-VWNXMTODSA-N -1 3 583.559 5.799 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cccc(CCN2CCCC2)c1)C1CC1 ZINC000203801327 562874154 /nfs/dbraw/zinc/87/41/54/562874154.db2.gz JPRJGMCQROUQIV-UHFFFAOYSA-N -1 3 546.498 7.889 1 0 KKAFHM CN(C)CCNC(=O)c1ccc(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])cc1 ZINC000204936206 562874619 /nfs/dbraw/zinc/87/46/19/562874619.db2.gz XTWUXSBUDJAUTB-UHFFFAOYSA-N -1 3 540.472 6.441 1 0 KKAFHM Cc1cc(CN2CCN(Cc3ccncc3)CC2)ccc1-c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000205448839 562875374 /nfs/dbraw/zinc/87/53/74/562875374.db2.gz HSUQYJQLSYQEOB-UHFFFAOYSA-N -1 3 523.521 5.687 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1cccc(CCN2CCN(C)CC2)c1 ZINC000219351699 562878110 /nfs/dbraw/zinc/87/81/10/562878110.db2.gz ZWZYCVRUIKPEQZ-UHFFFAOYSA-N -1 3 533.047 6.136 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000219354673 562878126 /nfs/dbraw/zinc/87/81/26/562878126.db2.gz DAOLHFKLYFASDC-KNQAVFIVSA-N -1 3 525.068 5.821 1 0 KKAFHM O=C(CCc1cc(C(F)(F)F)ccc1C(F)(F)F)Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000220393882 562878432 /nfs/dbraw/zinc/87/84/32/562878432.db2.gz DCYKNPUFJUQIDQ-CUAXAMRHSA-N -1 3 651.094 7.482 1 0 KKAFHM O=C(c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)c(Cl)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000221272065 562878950 /nfs/dbraw/zinc/87/89/50/562878950.db2.gz QCIHUGHJAJFUGH-UHFFFAOYSA-N -1 3 556.471 5.466 1 0 KKAFHM CC(=O)c1ccc(Cl)c(F)c1C=CC(=O)N1CCc2c(-c3ccc(C(=O)NCCN(C)C)cc3)cccc2[C@@H]1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000224068492 562880251 /nfs/dbraw/zinc/88/02/51/562880251.db2.gz JBGIHUBDSGFFHF-OQGMVGRHSA-N -1 3 711.190 6.116 1 0 KKAFHM O=C([O-])[C@]12C[C@@H](OCc3ccccc3)CN1[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]12 ZINC000253679563 562882808 /nfs/dbraw/zinc/88/28/08/562882808.db2.gz XLGYEYQAMCYTAF-HFXOVZATSA-N -1 3 630.322 5.731 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299832516 562885832 /nfs/dbraw/zinc/88/58/32/562885832.db2.gz IDNAUFUZOZXDGX-HWOWSKLDSA-N -1 3 515.573 5.325 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=C[C@@H](C)CCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299833928 562886326 /nfs/dbraw/zinc/88/63/26/562886326.db2.gz PGGPQRJFNUXTSW-GJZGRUSLSA-N -1 3 513.557 5.234 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(F)(F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834021 562886369 /nfs/dbraw/zinc/88/63/69/562886369.db2.gz QQZRELFGIGFPBH-ZDUSSCGKSA-N -1 3 537.526 5.324 1 0 KKAFHM O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(N2C(=O)[N-]C(=O)[C@H]2c2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000299862954 562893670 /nfs/dbraw/zinc/89/36/70/562893670.db2.gz ODNOKJSOBOYHLS-GOXNXCPWSA-N -1 3 642.778 5.193 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473153354 562902005 /nfs/dbraw/zinc/90/20/05/562902005.db2.gz AVZQDUWMFOMBTG-HNNXBMFYSA-N -1 3 500.558 5.684 1 0 KKAFHM CC(C)CCSc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154328 562902069 /nfs/dbraw/zinc/90/20/69/562902069.db2.gz GHYIYWSZXUZKRO-HNNXBMFYSA-N -1 3 520.614 5.774 1 0 KKAFHM [O-]c1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)c(I)c3)no2)cc1 ZINC000473154367 562902121 /nfs/dbraw/zinc/90/21/21/562902121.db2.gz GQFQWTXDTSYNNN-UHFFFAOYSA-N -1 3 524.236 6.525 1 0 KKAFHM O=c1cc(-c2ccccc2)oc2cc(OCCCCN=c3[nH]c4ccc(C(F)(F)F)cc4s3)cc([O-])c12 ZINC000473155022 562902331 /nfs/dbraw/zinc/90/23/31/562902331.db2.gz OCYYYXGOWSJYFM-UHFFFAOYSA-N -1 3 526.536 6.487 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473156158 562902482 /nfs/dbraw/zinc/90/24/82/562902482.db2.gz STBGZBZTNDOOCG-MRXNPFEDSA-N -1 3 540.604 5.928 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CCN(C)CC2)CC1 ZINC000473179741 562903456 /nfs/dbraw/zinc/90/34/56/562903456.db2.gz RJPWGNJDUOTIGL-XYWHTSSQSA-N -1 3 525.068 5.243 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](C(=O)NCCN(C)C)CC1 ZINC000473197797 562903684 /nfs/dbraw/zinc/90/36/84/562903684.db2.gz FYCWVFLHMCMZRF-IRJFHVNHSA-N -1 3 543.495 5.187 1 0 KKAFHM C[C@@H](N)C(=O)N[C@H]1CC[C@H](Nc2c(C(=O)C(C)(C)C)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473197784 562903715 /nfs/dbraw/zinc/90/37/15/562903715.db2.gz FMOQEUSSKGBLAW-ATZDWAIDSA-N -1 3 557.522 5.751 1 0 KKAFHM CN(C)C[C@H]1CC[C@H](Nc2c3cc(-c4cc(Cl)c([O-])c(Cl)c4)ccc3ncc2S(C)(=O)=O)CC1 ZINC000473210196 562903840 /nfs/dbraw/zinc/90/38/40/562903840.db2.gz MWUGEURPYSWTAI-RZDIXWSQSA-N -1 3 522.498 5.272 1 0 KKAFHM CN(Cc1ccc2nccnc2c1)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)c(O)cc2[O-])cc1 ZINC000653664722 562905964 /nfs/dbraw/zinc/90/59/64/562905964.db2.gz ZJFQQXZHHGCSQD-UHFFFAOYSA-N -1 3 586.570 6.179 1 0 KKAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCN3CCOCC3)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653682393 562906394 /nfs/dbraw/zinc/90/63/94/562906394.db2.gz LNBYJUPTVFIGQB-UHFFFAOYSA-N -1 3 575.065 5.075 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653697060 562907054 /nfs/dbraw/zinc/90/70/54/562907054.db2.gz ABKAFFVQIAVZDC-GOSISDBHSA-N -1 3 717.138 6.219 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653713259 562908251 /nfs/dbraw/zinc/90/82/51/562908251.db2.gz PTNCGQOWEXTGOB-FQEVSTJZSA-N -1 3 664.703 5.426 1 0 KKAFHM CN1CCC2(CCC(S(=O)(=O)c3c(Cl)ccc(NC(=O)Nc4cccc(F)c4Cl)c3[O-])CC2)CC1 ZINC000653899276 562917444 /nfs/dbraw/zinc/91/74/44/562917444.db2.gz IRARJXIHTSYOCQ-UHFFFAOYSA-N -1 3 544.476 5.910 1 0 KKAFHM COc1cc(CCC(O)=C([O-])C(=O)CCCCCCC2CCCCC2)cc([C@@H](c2ccnc(N)c2)[C@H](CO)Cc2ccc[nH]2)c1O ZINC000085631544 565165425 /nfs/dbraw/zinc/16/54/25/565165425.db2.gz VVFTYIQETFMJKG-QUQGEDSUSA-N -1 3 632.822 5.828 1 0 biogenic,in-vitro KKAFHM COc1cc2c(cc1OC)[C@@H](Cc1ccc([O-])c(Oc3cc4c(cc3OC)CC[C@@H](C)[C@]4(C)Cc3ccc(O)cc3)c1)N(C)CC2 ZINC000085648346 565169467 /nfs/dbraw/zinc/16/94/67/565169467.db2.gz DCYYXGAGWFONJI-QRMOXYPWSA-N -1 3 623.790 7.770 1 0 biogenic,in-vitro KKAFHM COc1ccc(CN2CCC(c3cn(Cc4ccc(Cl)s4)c4cc(F)ccc34)CC2)cc1C(=O)[O-] ZINC000001494870 561676608 /nfs/dbraw/zinc/67/66/08/561676608.db2.gz KQSXGBBQVLGKRD-UHFFFAOYSA-N -1 3 513.034 6.630 1 0 KKAFHM CCCCc1nc2ccc(COc3ccccn3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001538658 561676908 /nfs/dbraw/zinc/67/69/08/561676908.db2.gz MCVPZUMZPZSDQB-UHFFFAOYSA-N -1 3 543.631 5.609 1 0 KKAFHM CCCCc1nc2ccc(COc3ccccn3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001538658 561676910 /nfs/dbraw/zinc/67/69/10/561676910.db2.gz MCVPZUMZPZSDQB-UHFFFAOYSA-N -1 3 543.631 5.609 1 0 KKAFHM CCCCc1nc2ccn(Cc3cccs3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001536618 561676914 /nfs/dbraw/zinc/67/69/14/561676914.db2.gz URJBSQINSKCWSD-UHFFFAOYSA-N -1 3 521.650 5.546 1 0 KKAFHM CCCCc1nc2ccn(Cc3cccs3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001536618 561676916 /nfs/dbraw/zinc/67/69/16/561676916.db2.gz URJBSQINSKCWSD-UHFFFAOYSA-N -1 3 521.650 5.546 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3[C@@H]4CON3CCC4)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001538943 561677008 /nfs/dbraw/zinc/67/70/08/561677008.db2.gz RDMPKUGTZFCSQG-QABMSTFYSA-N -1 3 547.663 5.333 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3[C@@H]4CON3CCC4)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001538943 561677011 /nfs/dbraw/zinc/67/70/11/561677011.db2.gz RDMPKUGTZFCSQG-QABMSTFYSA-N -1 3 547.663 5.333 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)C[C@@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001540102 561677058 /nfs/dbraw/zinc/67/70/58/561677058.db2.gz AAZOKMBAJGOCHB-OGVWKLGRSA-N -1 3 561.690 5.649 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)C[C@@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001540102 561677060 /nfs/dbraw/zinc/67/70/60/561677060.db2.gz AAZOKMBAJGOCHB-OGVWKLGRSA-N -1 3 561.690 5.649 1 0 KKAFHM CCCCc1nnc([S@](=O)Cc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000002004087 561680336 /nfs/dbraw/zinc/68/03/36/561680336.db2.gz OITGFXPYRFTDNP-FAIXQHPJSA-N -1 3 575.098 5.063 1 0 KKAFHM CCCCc1nnc([S@](=O)Cc2ccc(Cl)cc2)n1Cc1ccc(NC(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000002004087 561680337 /nfs/dbraw/zinc/68/03/37/561680337.db2.gz OITGFXPYRFTDNP-FAIXQHPJSA-N -1 3 575.098 5.063 1 0 KKAFHM [O-]c1ccccc1-c1nn2c(CCCCCCCCc3nnc4sc(-c5ccccc5O)nn34)nnc2s1 ZINC000001862015 561679838 /nfs/dbraw/zinc/67/98/38/561679838.db2.gz SBSJBIWJJSATGN-UHFFFAOYSA-N -1 3 546.682 5.556 1 0 KKAFHM CCCCc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003919205 561685537 /nfs/dbraw/zinc/68/55/37/561685537.db2.gz JBDLISFHUQGKKA-QHCPKHFHSA-N -1 3 622.726 7.263 1 0 KKAFHM CCCCc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003919205 561685538 /nfs/dbraw/zinc/68/55/38/561685538.db2.gz JBDLISFHUQGKKA-QHCPKHFHSA-N -1 3 622.726 7.263 1 0 KKAFHM Clc1ccc([N-]c2nnc(CCCCCCCCc3nnc(Nc4ccc(Cl)cc4)o3)o2)cc1 ZINC000005923490 561700332 /nfs/dbraw/zinc/70/03/32/561700332.db2.gz KYVCZCCWTQKSBB-UHFFFAOYSA-N -1 3 501.418 7.372 1 0 KKAFHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](c1ccccc1)[C@]1(C)C[C@H]1[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000008829499 561708474 /nfs/dbraw/zinc/70/84/74/561708474.db2.gz HMZIIROBFORYQD-KFYPYELXSA-N -1 3 551.112 5.856 3 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H]([N-]S(=O)(=O)c2cccs2)C3)c1-c1ccc(F)cc1 ZINC000013471226 561713999 /nfs/dbraw/zinc/71/39/99/561713999.db2.gz WOKRZDMTEXOXTC-HSZRJFAPSA-N -1 3 506.624 5.561 1 0 KKAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@H]3c3ccc4c(c3)CCC4)nc2)cc1OC ZINC000013491047 561716142 /nfs/dbraw/zinc/71/61/42/561716142.db2.gz YOORTNLCAVPHQO-SSEXGKCCSA-N -1 3 516.601 5.601 1 0 KKAFHM CN(C[C@H]1CCCN(C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1cccc(F)c1 ZINC000013646652 561722668 /nfs/dbraw/zinc/72/26/68/561722668.db2.gz JGEJXPDQDZYEEV-NRFANRHFSA-N -1 3 519.661 5.994 1 0 KKAFHM CN(C[C@H]1CCCN(C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccc(Cl)cc1 ZINC000013646602 561722677 /nfs/dbraw/zinc/72/26/77/561722677.db2.gz HUIRYPIBXDIZJQ-NRFANRHFSA-N -1 3 536.116 6.508 1 0 KKAFHM CCCc1nc2c(cc(-c3cn4ccccc4n3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013732081 561725299 /nfs/dbraw/zinc/72/52/99/561725299.db2.gz HPJCDTXAMABJSO-UHFFFAOYSA-N -1 3 524.632 6.507 1 0 KKAFHM CCCc1nc2c(cc(-c3cn4ccccc4n3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013732081 561725301 /nfs/dbraw/zinc/72/53/01/561725301.db2.gz HPJCDTXAMABJSO-UHFFFAOYSA-N -1 3 524.632 6.507 1 0 KKAFHM O=C([O-])c1cc(=O)c2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)cc2o1 ZINC000013741951 561726248 /nfs/dbraw/zinc/72/62/48/561726248.db2.gz LXPMJPVBVVHKHE-UHFFFAOYSA-N -1 3 513.590 5.531 1 0 KKAFHM CCCCc1nnc(SCc2cccc(OC)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825654 561732999 /nfs/dbraw/zinc/73/29/99/561732999.db2.gz YSNFYEFLAAIUOC-UHFFFAOYSA-N -1 3 511.655 5.817 1 0 KKAFHM CCCCc1nnc(SCc2cccc(OC)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825654 561733000 /nfs/dbraw/zinc/73/30/00/561733000.db2.gz YSNFYEFLAAIUOC-UHFFFAOYSA-N -1 3 511.655 5.817 1 0 KKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(I)c(CC)n1 ZINC000013826907 561733039 /nfs/dbraw/zinc/73/30/39/561733039.db2.gz CJOUEUPOWAKVHI-UHFFFAOYSA-N -1 3 511.367 5.237 1 0 KKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(I)c(CC)n1 ZINC000013826907 561733040 /nfs/dbraw/zinc/73/30/40/561733040.db2.gz CJOUEUPOWAKVHI-UHFFFAOYSA-N -1 3 511.367 5.237 1 0 KKAFHM COc1ccc(CN(Cc2ccccc2)C(=O)c2ccc([O-])cc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000013831061 561733247 /nfs/dbraw/zinc/73/32/47/561733247.db2.gz ZIXJMABQOKXLFN-UHFFFAOYSA-N -1 3 510.590 5.781 1 0 KKAFHM CCCCc1nn(CC[C@@H](C)CC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832231 561733382 /nfs/dbraw/zinc/73/33/82/561733382.db2.gz DVRJARPEZUOMAP-OAQYLSRUSA-N -1 3 501.679 5.745 1 0 KKAFHM CCCCc1nn(CC[C@@H](C)CC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832231 561733384 /nfs/dbraw/zinc/73/33/84/561733384.db2.gz DVRJARPEZUOMAP-OAQYLSRUSA-N -1 3 501.679 5.745 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC[C@@H]4CCCC[C@@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014285620 561738996 /nfs/dbraw/zinc/73/89/96/561738996.db2.gz WTVPTPQDMRYJAD-OATBXSGESA-N -1 3 574.729 7.045 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC[C@@H]4CCCC[C@@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014285620 561738999 /nfs/dbraw/zinc/73/89/99/561738999.db2.gz WTVPTPQDMRYJAD-OATBXSGESA-N -1 3 574.729 7.045 1 0 KKAFHM CCCCc1nc2ccc(C3=NN4CCC[C@H]4C3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014278684 561739042 /nfs/dbraw/zinc/73/90/42/561739042.db2.gz BPYRQFVJPKMNBY-DEOSSOPVSA-N -1 3 544.663 5.207 1 0 KKAFHM CCCCc1nc2ccc(C3=NN4CCC[C@H]4C3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014278684 561739044 /nfs/dbraw/zinc/73/90/44/561739044.db2.gz BPYRQFVJPKMNBY-DEOSSOPVSA-N -1 3 544.663 5.207 1 0 KKAFHM O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-c5nnn[n-]5)ccc4nc3-c3ccccc3)cc2)CC1 ZINC000014957947 561748094 /nfs/dbraw/zinc/74/80/94/561748094.db2.gz CCGCNRFJWOIIDQ-UHFFFAOYSA-N -1 3 579.668 5.624 1 0 KKAFHM O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc(-c5nn[n-]n5)ccc4nc3-c3ccccc3)cc2)CC1 ZINC000014957947 561748096 /nfs/dbraw/zinc/74/80/96/561748096.db2.gz CCGCNRFJWOIIDQ-UHFFFAOYSA-N -1 3 579.668 5.624 1 0 KKAFHM COC(=O)Nc1nc2ccc(S(=O)(=O)c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)cc2[n-]1 ZINC000014965555 561749605 /nfs/dbraw/zinc/74/96/05/561749605.db2.gz RJOBEDHRAOYOQX-UHFFFAOYSA-N -1 3 551.478 5.376 1 0 KKAFHM COC(=O)Nc1nc2cc(S(=O)(=O)c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)ccc2[n-]1 ZINC000014965555 561749606 /nfs/dbraw/zinc/74/96/06/561749606.db2.gz RJOBEDHRAOYOQX-UHFFFAOYSA-N -1 3 551.478 5.376 1 0 KKAFHM C[C@H](OC[C@H](c1ccccc1)N1CCN(CC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022927010 561759695 /nfs/dbraw/zinc/75/96/95/561759695.db2.gz WOLHPOWZBHRGTD-HRAATJIYSA-N -1 3 504.471 5.245 1 0 KKAFHM CCCCC(=O)N(Cc1ccccc1)c1cc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2nc1C ZINC000026283382 561779467 /nfs/dbraw/zinc/77/94/67/561779467.db2.gz FDKINUWMHLXGDY-UHFFFAOYSA-N -1 3 612.782 7.701 1 0 KKAFHM CCCCC(=O)N(Cc1ccccc1)c1cc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2nc1C ZINC000026283382 561779468 /nfs/dbraw/zinc/77/94/68/561779468.db2.gz FDKINUWMHLXGDY-UHFFFAOYSA-N -1 3 612.782 7.701 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026292465 561780753 /nfs/dbraw/zinc/78/07/53/561780753.db2.gz IYWDGVNLLWLWKC-UHFFFAOYSA-N -1 3 610.718 6.881 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccccc2C(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026292465 561780754 /nfs/dbraw/zinc/78/07/54/561780754.db2.gz IYWDGVNLLWLWKC-UHFFFAOYSA-N -1 3 610.718 6.881 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2cccc(C(=O)N(c3ccccc3)c3ccccc3)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026292470 561780779 /nfs/dbraw/zinc/78/07/79/561780779.db2.gz LPEIMGJKTRWYBQ-UHFFFAOYSA-N -1 3 701.831 8.629 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2cccc(C(=O)N(c3ccccc3)c3ccccc3)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026292470 561780780 /nfs/dbraw/zinc/78/07/80/561780780.db2.gz LPEIMGJKTRWYBQ-UHFFFAOYSA-N -1 3 701.831 8.629 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026401480 561788424 /nfs/dbraw/zinc/78/84/24/561788424.db2.gz GVAWYNSWBZOFRR-UHFFFAOYSA-N -1 3 596.644 5.931 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026401480 561788425 /nfs/dbraw/zinc/78/84/25/561788425.db2.gz GVAWYNSWBZOFRR-UHFFFAOYSA-N -1 3 596.644 5.931 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C3CCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026403270 561788884 /nfs/dbraw/zinc/78/88/84/561788884.db2.gz QVTHQNDDIKVSAN-UHFFFAOYSA-N -1 3 566.618 5.178 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C3CCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026403270 561788886 /nfs/dbraw/zinc/78/88/86/561788886.db2.gz QVTHQNDDIKVSAN-UHFFFAOYSA-N -1 3 566.618 5.178 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OCC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579304 561804486 /nfs/dbraw/zinc/80/44/86/561804486.db2.gz LXVBKSYPVPSHBE-YTTGMZPUSA-N -1 3 615.738 6.225 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OCC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579304 561804487 /nfs/dbraw/zinc/80/44/87/561804487.db2.gz LXVBKSYPVPSHBE-YTTGMZPUSA-N -1 3 615.738 6.225 1 0 KKAFHM COc1cc(C)cc2c(-c3ccc4c(c3)OCO4)cc(-c3cc(-c4ccc5c(c4)OCO5)c4cc(C)cc(OC)c4c3O)c([O-])c12 ZINC000026638616 561806183 /nfs/dbraw/zinc/80/61/83/561806183.db2.gz AFQFDIXACLAQAR-UHFFFAOYSA-N -1 3 614.650 8.497 1 0 KKAFHM CO[P@]([O-])(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)=NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026740794 561818068 /nfs/dbraw/zinc/81/80/68/561818068.db2.gz RRXPZNQXZRMADE-LDLOPFEMSA-N -1 3 555.784 10.125 1 0 KKAFHM CO[P@](=O)(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)[N-]C(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026740794 561818070 /nfs/dbraw/zinc/81/80/70/561818070.db2.gz RRXPZNQXZRMADE-LDLOPFEMSA-N -1 3 555.784 10.125 1 0 KKAFHM CCCOC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c(=O)c2c1 ZINC000026949525 561828775 /nfs/dbraw/zinc/82/87/75/561828775.db2.gz ANCYVULDNZYYMG-UHFFFAOYSA-N -1 3 613.722 6.798 1 0 KKAFHM CCCOC(=O)N(Cc1ccccc1)c1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c(=O)c2c1 ZINC000026949525 561828776 /nfs/dbraw/zinc/82/87/76/561828776.db2.gz ANCYVULDNZYYMG-UHFFFAOYSA-N -1 3 613.722 6.798 1 0 KKAFHM CCCCc1nn(CCc2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027110189 561841365 /nfs/dbraw/zinc/84/13/65/561841365.db2.gz IZYBVNUTCITXJV-UHFFFAOYSA-N -1 3 534.664 6.083 1 0 KKAFHM CCCCc1nn(CCc2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027110189 561841367 /nfs/dbraw/zinc/84/13/67/561841367.db2.gz IZYBVNUTCITXJV-UHFFFAOYSA-N -1 3 534.664 6.083 1 0 KKAFHM CCOC(=O)c1c(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl ZINC000027182144 561841890 /nfs/dbraw/zinc/84/18/90/561841890.db2.gz KAVXLGDCKNPYMU-UHFFFAOYSA-N -1 3 573.484 6.746 1 0 KKAFHM CCOC(=O)c1c(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(CC2CC2)nn1-c1c(Cl)cccc1Cl ZINC000027182144 561841891 /nfs/dbraw/zinc/84/18/91/561841891.db2.gz KAVXLGDCKNPYMU-UHFFFAOYSA-N -1 3 573.484 6.746 1 0 KKAFHM CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027326144 561853768 /nfs/dbraw/zinc/85/37/68/561853768.db2.gz BRTGYYMVGGPMTJ-UHFFFAOYSA-N -1 3 548.695 6.729 1 0 KKAFHM CCCCc1nc2ccc(NC(=O)NC3CCCCC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027326144 561853769 /nfs/dbraw/zinc/85/37/69/561853769.db2.gz BRTGYYMVGGPMTJ-UHFFFAOYSA-N -1 3 548.695 6.729 1 0 KKAFHM O=c1c(O)c([O-])c(O)c(-c2cccc(-c3nnc(-c4ccc5ccccc5c4)o3)c2)cc1-c1cccc(-c2nnc(-c3ccc4ccccc4c3)o2)c1 ZINC000027419623 561857579 /nfs/dbraw/zinc/85/75/79/561857579.db2.gz QCSBCOROCCUKBD-UHFFFAOYSA-N -1 3 694.703 9.238 1 0 KKAFHM O=c1c(O)c([O-])c(-c2cccc(-c3nnc(-c4ccc5ccccc5c4)o3)c2)cc(-c2cccc(-c3nnc(-c4ccc5ccccc5c4)o3)c2)c1O ZINC000027419623 561857580 /nfs/dbraw/zinc/85/75/80/561857580.db2.gz QCSBCOROCCUKBD-UHFFFAOYSA-N -1 3 694.703 9.238 1 0 KKAFHM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2C2=N[S@@](=O)N(c3ccccc3)[N-]2)cc1 ZINC000027518237 561862068 /nfs/dbraw/zinc/86/20/68/561862068.db2.gz JQHQKNKVFWZKAX-LHEWISCISA-N -1 3 520.662 5.676 1 0 KKAFHM COc1c(C[S@@](=O)c2nc3cscc3[n-]2)nccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027520027 561863364 /nfs/dbraw/zinc/86/33/64/561863364.db2.gz BCSCZPFFPZCZII-DHUJRADRSA-N -1 3 535.491 5.952 1 0 KKAFHM CCCCc1nc(Cl)c(CNC(N)=O)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000027656160 561877513 /nfs/dbraw/zinc/87/75/13/561877513.db2.gz VJYIYIFPJQHSNF-UHFFFAOYSA-N -1 3 583.878 5.452 1 0 KKAFHM CCCCc1nc(Cl)c(CNC(N)=O)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000027656160 561877515 /nfs/dbraw/zinc/87/75/15/561877515.db2.gz VJYIYIFPJQHSNF-UHFFFAOYSA-N -1 3 583.878 5.452 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C(C)C)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718266 561880406 /nfs/dbraw/zinc/88/04/06/561880406.db2.gz RQHFYLDVMMJFGB-NHCUHLMSSA-N -1 3 518.607 5.734 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])Cc2ccccc2)cc([C@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027719951 561880520 /nfs/dbraw/zinc/88/05/20/561880520.db2.gz GODQIDMDYBTWQN-JWQCQUIFSA-N -1 3 566.651 6.526 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])Cc2ccccc2)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027719944 561880531 /nfs/dbraw/zinc/88/05/31/561880531.db2.gz GODQIDMDYBTWQN-LOSJGSFVSA-N -1 3 566.651 6.526 1 0 KKAFHM COc1cc(O)c2c([O-])c3c(cc2c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1)O[C@@H](C)[C@@H](C)C3=O ZINC000027762535 561884185 /nfs/dbraw/zinc/88/41/85/561884185.db2.gz OGLPFNHXTUEWNW-FXUDXRNXSA-N -1 3 602.636 6.305 1 0 KKAFHM COc1cc([O-])c2c(O)c3c(cc2c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1)O[C@@H](C)[C@@H](C)C3=O ZINC000027762535 561884187 /nfs/dbraw/zinc/88/41/87/561884187.db2.gz OGLPFNHXTUEWNW-FXUDXRNXSA-N -1 3 602.636 6.305 1 0 KKAFHM Cc1ncc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCO4)nc2)n1Cc1ccccc1 ZINC000028103825 561902005 /nfs/dbraw/zinc/90/20/05/561902005.db2.gz DSHDAYCKUUJXPF-YTTGMZPUSA-N -1 3 552.638 5.583 1 0 KKAFHM O=C(c1ccccc1)c1ccc2c(c1[O-])N[C@H](c1ccccc1)[C@@H](NCC(c1ccccc1)c1ccccc1)O2 ZINC000028113321 561903373 /nfs/dbraw/zinc/90/33/73/561903373.db2.gz IMGVLHPPOZVQNA-NQVJXQQZSA-N -1 3 526.636 6.917 1 0 KKAFHM CO[C@H]([N-]C(=O)C(F)(F)C(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C ZINC000028227720 561908496 /nfs/dbraw/zinc/90/84/96/561908496.db2.gz DANCRRCGFMLOMO-NGCAANIMSA-N -1 3 667.750 5.193 1 0 KKAFHM CN(C)c1nc(NC2CCC([N-]S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc21 ZINC000028334916 561913185 /nfs/dbraw/zinc/91/31/85/561913185.db2.gz LDCMGLYXOOMRFQ-UHFFFAOYSA-N -1 3 588.450 5.059 1 0 KKAFHM O=C(Nc1ccc2c(c1)C[C@H]1CC[C@@H](C2)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1)OCc1ccccc1 ZINC000028337540 561913632 /nfs/dbraw/zinc/91/36/32/561913632.db2.gz SWVXQUCEXDXWHP-XLNZFTOWSA-N -1 3 517.072 5.622 1 0 KKAFHM C[C@@]1(C2CCCC2)Cc2cc(OCCCCOc3ccc(-c4nnn[n-]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028343526 561914495 /nfs/dbraw/zinc/91/44/95/561914495.db2.gz FPPKJNIYDBNWAJ-SANMLTNESA-N -1 3 515.441 6.347 1 0 KKAFHM C[C@@]1(C2CCCC2)Cc2cc(OCCCCOc3ccc(-c4nn[n-]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028343526 561914496 /nfs/dbraw/zinc/91/44/96/561914496.db2.gz FPPKJNIYDBNWAJ-SANMLTNESA-N -1 3 515.441 6.347 1 0 KKAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)SCc1ccc(OC)cc1)C(C)(C)c1ccc(OC)cc1 ZINC000028355864 561916249 /nfs/dbraw/zinc/91/62/49/561916249.db2.gz WYCWASLTSVDNCN-DSIKJRIHSA-N -1 3 641.875 5.280 1 0 KKAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)SCc1ccc(OC)cc1)C(C)(C)c1ccccc1 ZINC000028359725 561916597 /nfs/dbraw/zinc/91/65/97/561916597.db2.gz GGCCPPXPAKCCNU-FGDWRFNJSA-N -1 3 611.849 5.272 1 0 KKAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(-c2ccccc2)c1 ZINC000028395587 561923016 /nfs/dbraw/zinc/92/30/16/561923016.db2.gz KDAJZCRVVBWCSH-PIJRPZOOSA-N -1 3 549.756 5.264 1 0 KKAFHM O=S(=O)([N-]CC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F ZINC000028523329 561930010 /nfs/dbraw/zinc/93/00/10/561930010.db2.gz BKDDSROSFZKQTN-UHFFFAOYSA-N -1 3 573.435 5.488 1 0 KKAFHM CN(C)[C@@H]1CN[C@@H](C(=O)Cn2c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c2-c2ccc(Cl)cc2)C1 ZINC000028469345 561926732 /nfs/dbraw/zinc/92/67/32/561926732.db2.gz NVFAYGFBOQLQLC-LADGPHEKSA-N -1 3 508.062 5.569 1 0 KKAFHM NS(=O)(=O)c1cc(Cl)c([N-]c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)cs2)c(Cl)c1 ZINC000028562846 561935306 /nfs/dbraw/zinc/93/53/06/561935306.db2.gz UFOMWUMEVCCFSL-UHFFFAOYSA-N -1 3 511.334 5.112 1 0 KKAFHM O=C([O-])C1CCN(CCC=C(c2sccc2COc2cccc3ccccc32)c2sccc2COc2cccc3ccccc32)CC1 ZINC000028564768 561935727 /nfs/dbraw/zinc/93/57/27/561935727.db2.gz QHTYAAPOMREXGQ-UHFFFAOYSA-N -1 3 659.873 9.892 1 0 KKAFHM CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)[N-]c1cc(C)no1 ZINC000028569067 561937721 /nfs/dbraw/zinc/93/77/21/561937721.db2.gz CGLDQNAZWLLHQY-YIXXDRMTSA-N -1 3 600.945 5.324 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)Oc2cccc(CO[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028572170 561939759 /nfs/dbraw/zinc/93/97/59/561939759.db2.gz BCGZXPOIUOVFKQ-UHFFFAOYSA-N -1 3 588.024 5.702 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)Oc2cccc(CO[N+](=O)[O-])c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028572170 561939760 /nfs/dbraw/zinc/93/97/60/561939760.db2.gz BCGZXPOIUOVFKQ-UHFFFAOYSA-N -1 3 588.024 5.702 1 0 KKAFHM CCCCc1nc2ccc(C3=NNC(=O)C[C@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028755789 561955861 /nfs/dbraw/zinc/95/58/61/561955861.db2.gz UIOODGFNLCGWIH-LJQANCHMSA-N -1 3 518.625 5.134 1 0 KKAFHM CCCCc1nc2ccc(C3=NNC(=O)C[C@H]3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028755789 561955862 /nfs/dbraw/zinc/95/58/62/561955862.db2.gz UIOODGFNLCGWIH-LJQANCHMSA-N -1 3 518.625 5.134 1 0 KKAFHM CCCCc1nc2ccc(-c3n[nH]c(=O)cc3C)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028756144 561956033 /nfs/dbraw/zinc/95/60/33/561956033.db2.gz MXMVZLLPCCVACV-UHFFFAOYSA-N -1 3 516.609 5.333 1 0 KKAFHM CCCCc1nc2ccc(-c3n[nH]c(=O)cc3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028756144 561956034 /nfs/dbraw/zinc/95/60/34/561956034.db2.gz MXMVZLLPCCVACV-UHFFFAOYSA-N -1 3 516.609 5.333 1 0 KKAFHM CCCCc1nc2cc(C3=NNC(=O)C[C@H]3C)ccc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028756113 561956043 /nfs/dbraw/zinc/95/60/43/561956043.db2.gz XWUUGJRHNKDUKO-LJQANCHMSA-N -1 3 518.625 5.134 1 0 KKAFHM CCCCc1nc2cc(C3=NNC(=O)C[C@H]3C)ccc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028756113 561956044 /nfs/dbraw/zinc/95/60/44/561956044.db2.gz XWUUGJRHNKDUKO-LJQANCHMSA-N -1 3 518.625 5.134 1 0 KKAFHM CCCCCN(C(=O)c1ccc([O-])cc1)c1ccc2ncn(Cc3ccc(-c4ccccc4-c4nnnn4C)cc3)c(=O)c2c1 ZINC000028769043 561960616 /nfs/dbraw/zinc/96/06/16/561960616.db2.gz OURZJUVVAKFFMH-UHFFFAOYSA-N -1 3 599.695 5.845 1 0 KKAFHM COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(Br)c1[O-] ZINC000028881507 561976865 /nfs/dbraw/zinc/97/68/65/561976865.db2.gz YIPQHYCSFFCMDP-HXUWFJFHSA-N -1 3 551.547 5.192 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)cc(Br)c1[O-] ZINC000028881725 561976992 /nfs/dbraw/zinc/97/69/92/561976992.db2.gz WNQWQFCCWRLIQM-HXUWFJFHSA-N -1 3 551.547 5.335 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)[O-])Cc2ccc3ccccc3c2)c1 ZINC000028949121 561980436 /nfs/dbraw/zinc/98/04/36/561980436.db2.gz XUBYXZHNJJOWHG-UHFFFAOYSA-N -1 3 506.602 6.512 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)[O-])Cc2ccc3c(c2)OCO3)cc1 ZINC000028949141 561980457 /nfs/dbraw/zinc/98/04/57/561980457.db2.gz COCLDEIMTMDHQO-UHFFFAOYSA-N -1 3 500.551 5.087 1 0 KKAFHM CN(C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1)[C@H]1CCN(C)C1 ZINC000028949700 561980728 /nfs/dbraw/zinc/98/07/28/561980728.db2.gz DSRLBJZTBBAOST-QHCPKHFHSA-N -1 3 513.642 5.274 1 0 KKAFHM Nc1[n-]c(=O)nc2nc(-c3ccc(CN4CCC(n5c6ccccc6[nH]c5=O)CC4)cc3)c(-c3ccccc3)cc12 ZINC000029126829 561999110 /nfs/dbraw/zinc/99/91/10/561999110.db2.gz QGFDTTHSJZPGML-UHFFFAOYSA-N -1 3 543.631 5.127 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccncc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029250052 562011149 /nfs/dbraw/zinc/01/11/49/562011149.db2.gz SSRRAMNPXQVYMU-UHFFFAOYSA-N -1 3 618.701 6.096 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccncc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029250052 562011151 /nfs/dbraw/zinc/01/11/51/562011151.db2.gz SSRRAMNPXQVYMU-UHFFFAOYSA-N -1 3 618.701 6.096 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@@H](OC(=O)CC)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029317914 562012638 /nfs/dbraw/zinc/01/26/38/562012638.db2.gz KTXDWYPMHNODHB-WJOKGBTCSA-N -1 3 604.111 6.144 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@@H](OC(=O)CC)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029317914 562012639 /nfs/dbraw/zinc/01/26/39/562012639.db2.gz KTXDWYPMHNODHB-WJOKGBTCSA-N -1 3 604.111 6.144 1 0 KKAFHM CCCCOC(=O)c1c(Cl)nc(CCCC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029317028 562012650 /nfs/dbraw/zinc/01/26/50/562012650.db2.gz LOVVMPASMGGULU-UHFFFAOYSA-N -1 3 532.048 6.008 1 0 KKAFHM CCCCOC(=O)c1c(Cl)nc(CCCC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029317028 562012651 /nfs/dbraw/zinc/01/26/51/562012651.db2.gz LOVVMPASMGGULU-UHFFFAOYSA-N -1 3 532.048 6.008 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC(c4cc(C)co4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029409564 562021459 /nfs/dbraw/zinc/02/14/59/562021459.db2.gz FVGFVEFWKKIOHF-PMERELPUSA-N -1 3 585.668 6.402 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC(c4cc(C)co4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029409564 562021461 /nfs/dbraw/zinc/02/14/61/562021461.db2.gz FVGFVEFWKKIOHF-PMERELPUSA-N -1 3 585.668 6.402 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C(=O)N4CCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029415323 562022758 /nfs/dbraw/zinc/02/27/58/562022758.db2.gz ZQLSMMPHQPKDKB-XOAACPPSSA-N -1 3 644.780 5.252 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C(=O)N4CCCC4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029415323 562022760 /nfs/dbraw/zinc/02/27/60/562022760.db2.gz ZQLSMMPHQPKDKB-XOAACPPSSA-N -1 3 644.780 5.252 1 0 KKAFHM CN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)c(F)c1 ZINC000034613245 562039281 /nfs/dbraw/zinc/03/92/81/562039281.db2.gz UEQLIMFVTUJELN-UHFFFAOYSA-N -1 3 502.798 6.555 1 0 KKAFHM CC(C)=CCOc1c(C)c(C)c2c(c1C)CC[C@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1F)O2 ZINC000038212186 562070555 /nfs/dbraw/zinc/07/05/55/562070555.db2.gz HZMCNFCMGYLAPU-HTWGCYSYSA-N -1 3 525.642 6.583 1 0 KKAFHM O=C([O-])Cn1ccc2c1cccc2OCCCN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1 ZINC000039716198 562073176 /nfs/dbraw/zinc/07/31/76/562073176.db2.gz RHWNXOWPCIQOAH-UHFFFAOYSA-N -1 3 621.099 8.501 1 0 in-vitro KKAFHM O=C([O-])CCc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 ZINC000040632030 562078553 /nfs/dbraw/zinc/07/85/53/562078553.db2.gz RVYLENSPNNMDPU-UHFFFAOYSA-N -1 3 509.593 5.399 1 0 KKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 ZINC000040766913 562079695 /nfs/dbraw/zinc/07/96/95/562079695.db2.gz AGNDDQYVOOPGHE-RFRUVVDJSA-N -1 3 506.646 6.482 1 0 KKAFHM O=C([O-])c1ccc(-c2ccc(OCCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1 ZINC000040863853 562081043 /nfs/dbraw/zinc/08/10/43/562081043.db2.gz IIDUXNTUNDZZQP-MHZLTWQESA-N -1 3 510.030 6.119 1 0 KKAFHM COc1ccc2c(c1)[C@H]1[C@@H](CCN1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040935705 562085116 /nfs/dbraw/zinc/08/51/16/562085116.db2.gz VODSKNZEQBMLAF-PZGXJGMVSA-N -1 3 501.671 6.001 1 0 KKAFHM COc1cc2c3c4c1Oc1cc5c(cc1O4)[C@H](Cc1ccc([O-])c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC5 ZINC000042802834 562087820 /nfs/dbraw/zinc/08/78/20/562087820.db2.gz GOYCVNCWKXBQBF-SVBPBHIXSA-N -1 3 562.666 6.948 1 0 biogenic,in-vitro KKAFHM CCC/C=C/CCCCCCc1cc([O-])cc(O)c1C(=O)O[C@@H](CCC)CCCCCCCc1cc(O)cc(O)c1 ZINC000014164021 560221052 /nfs/dbraw/zinc/22/10/52/560221052.db2.gz LYMWNVVWPGMTHS-SZOVNWDQSA-N -1 3 568.795 9.267 1 0 in-vitro KKAFHM COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cc(C(C)(C)C)c([O-])c(C(C)(C)C)c1 ZINC000043511371 562648744 /nfs/dbraw/zinc/64/87/44/562648744.db2.gz ZSBBAWKSCUXVDU-DXBVXKBHSA-N -1 3 562.707 5.076 1 0 KKAFHM CC([O-])=CC(=O)[C@@]12O[C@@H](c3ccc(Br)o3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]12C ZINC000043531915 562649191 /nfs/dbraw/zinc/64/91/91/562649191.db2.gz GQNJXTMBJDWKER-HXYUWRGTSA-N -1 3 531.443 5.495 1 0 KKAFHM CC(C)(NCc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000045228352 562659537 /nfs/dbraw/zinc/65/95/37/562659537.db2.gz MJPUCKOPBGALBX-UHFFFAOYSA-N -1 3 502.924 6.421 1 0 KKAFHM CC(C)(NCc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000045228352 562659538 /nfs/dbraw/zinc/65/95/38/562659538.db2.gz MJPUCKOPBGALBX-UHFFFAOYSA-N -1 3 502.924 6.421 1 0 KKAFHM O=C(CCCCCNC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1)N[C@@H]1CCCc2ccccc21 ZINC000045302248 562660560 /nfs/dbraw/zinc/66/05/60/562660560.db2.gz XAMJVPHCAZUUGX-AREMUKBSSA-N -1 3 525.476 6.850 1 0 KKAFHM O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN1C(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045303212 562660793 /nfs/dbraw/zinc/66/07/93/562660793.db2.gz XSZJZSLQHPCFLD-DQEYMECFSA-N -1 3 509.433 6.164 1 0 KKAFHM Cn1c2ccccc2nc1NC(=O)CCCCCNC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045335573 562661392 /nfs/dbraw/zinc/66/13/92/562661392.db2.gz MMTNXPHDLISYEZ-UHFFFAOYSA-N -1 3 525.436 6.182 1 0 KKAFHM CC(C)[C@H](NC(=O)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000045355477 562661817 /nfs/dbraw/zinc/66/18/17/562661817.db2.gz UHVFDARHXGPCNI-AHWVRZQESA-N -1 3 510.556 6.026 1 0 KKAFHM CC(C)(C)OC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc([O-])c2ncccc12 ZINC000049067780 562663975 /nfs/dbraw/zinc/66/39/75/562663975.db2.gz CBMYGQKBJCINDH-UHFFFAOYSA-N -1 3 500.439 6.915 1 0 KKAFHM CC(=O)Nc1ccc(CN2CCc3ccc([N-]S(=O)(=O)c4cccc(OCc5ccc(Cl)cc5)c4)cc3CC2)s1 ZINC000049605083 562665351 /nfs/dbraw/zinc/66/53/51/562665351.db2.gz YTMSPHSNASRQIH-UHFFFAOYSA-N -1 3 596.174 6.341 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1N1CCN(CC2CC2)CC1 ZINC000049605172 562665467 /nfs/dbraw/zinc/66/54/67/562665467.db2.gz KNFGWIWGTIFIRX-UHFFFAOYSA-N -1 3 604.651 5.179 1 0 KKAFHM O=C(CCCCCNC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1)NCc1cccc2ccccc21 ZINC000049605275 562665648 /nfs/dbraw/zinc/66/56/48/562665648.db2.gz NSZHEIFCHSUAJN-UHFFFAOYSA-N -1 3 535.471 7.126 1 0 KKAFHM C[C@@H](CCN(Cc1cccc(C(F)(F)F)c1Cl)CC(c1ccccc1)c1ccccc1)Oc1cccc(CC(=O)[O-])c1 ZINC000049695187 562670268 /nfs/dbraw/zinc/67/02/68/562670268.db2.gz XFIORQLIQIPEBM-DEOSSOPVSA-N -1 3 596.089 8.478 1 0 KKAFHM CC(C)(CNC(=O)C1CCN(CCOc2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049723289 562673139 /nfs/dbraw/zinc/67/31/39/562673139.db2.gz PBDZLXXLJJBEML-UHFFFAOYSA-N -1 3 608.570 6.336 1 0 KKAFHM Fc1ccc(-c2oc(C3CCN(CCc4ccc(-c5nc(=S)o[n-]5)cc4)CC3)nc2COCC(F)(F)F)cc1 ZINC000049746848 562674634 /nfs/dbraw/zinc/67/46/34/562674634.db2.gz UGSOGNVJKWUWGL-UHFFFAOYSA-N -1 3 562.589 6.320 1 0 KKAFHM C[C@H]1CCCN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)[O-])cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)C1 ZINC000049853700 562689051 /nfs/dbraw/zinc/68/90/51/562689051.db2.gz RCTCDFOAGDHGEB-LJAQVGFWSA-N -1 3 714.328 7.446 1 0 KKAFHM O=C(N=c1sc(C2CC2)nn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ccccc1Cl ZINC000049882037 562691311 /nfs/dbraw/zinc/69/13/11/562691311.db2.gz VRIRGASELIGXLF-SGEDCAFJSA-N -1 3 514.014 5.112 1 0 KKAFHM O=C(N=c1sc(C2CC2)nn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ccccc1Cl ZINC000049882037 562691312 /nfs/dbraw/zinc/69/13/12/562691312.db2.gz VRIRGASELIGXLF-SGEDCAFJSA-N -1 3 514.014 5.112 1 0 KKAFHM C[C@H]1CCC[C@H](C)N1CCS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898558 562692645 /nfs/dbraw/zinc/69/26/45/562692645.db2.gz LKHXERLHWRRRTM-CONSDPRKSA-N -1 3 726.383 8.531 1 0 KKAFHM C[C@@H]1CCC[C@@H](C)N1CCS(=O)(=O)NCCc1c(CCCc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898559 562692647 /nfs/dbraw/zinc/69/26/47/562692647.db2.gz LKHXERLHWRRRTM-FIRIVFDPSA-N -1 3 726.383 8.531 1 0 KKAFHM C[C@H]1CC[C@H](C)N1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000049898790 562692836 /nfs/dbraw/zinc/69/28/36/562692836.db2.gz XBLHHIUFHRHWAV-VMPREFPWSA-N -1 3 714.328 7.587 1 0 KKAFHM CC(C)CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1nccs1)N([O-])C=O ZINC000049908041 562693401 /nfs/dbraw/zinc/69/34/01/562693401.db2.gz HYGJDHSRTQCILJ-NGDRWEMDSA-N -1 3 657.878 6.292 1 0 KKAFHM O=C(NCC1CCC(C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000049917740 562693818 /nfs/dbraw/zinc/69/38/18/562693818.db2.gz DKZPMTVYYTVTBF-UHFFFAOYSA-N -1 3 594.366 7.568 1 0 KKAFHM Cc1c(=O)n(-c2ccccc2)n(C)c1-n1c2[n-]c(=S)[nH]c(=S)c2c(-c2ccccc2)c1-c1ccccc1 ZINC000053298898 562697574 /nfs/dbraw/zinc/69/75/74/562697574.db2.gz KCXUWGZREIJGNL-UHFFFAOYSA-N -1 3 521.671 6.504 1 0 KKAFHM CC(C)(C)c1cc(C(=O)Cn2c3cc(-c4ccccc4)ccc3nc2NCCCO)cc(C(C)(C)C)c1[O-] ZINC000053312722 562697598 /nfs/dbraw/zinc/69/75/98/562697598.db2.gz SCDSFTUJVQFLHO-UHFFFAOYSA-N -1 3 513.682 6.681 1 0 KKAFHM O=C([O-])/C=C/c1ccc2c(c1)sc(-c1ccc(O)cc1)c2C(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000058581512 562699824 /nfs/dbraw/zinc/69/98/24/562699824.db2.gz IBSQBBOGPJGCFE-PJQLUOCWSA-N -1 3 527.642 6.467 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Cc2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326643 562702678 /nfs/dbraw/zinc/70/26/78/562702678.db2.gz NRFHGZHDBILTJF-IBGZPJMESA-N -1 3 592.659 5.490 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327658 562702770 /nfs/dbraw/zinc/70/27/70/562702770.db2.gz ILOHDSABCQRISZ-KRWDZBQOSA-N -1 3 596.622 5.554 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327659 562702793 /nfs/dbraw/zinc/70/27/93/562702793.db2.gz ILOHDSABCQRISZ-QGZVFWFLSA-N -1 3 596.622 5.554 1 0 KKAFHM CC(C)(C)C(=O)OC[C@@H](CNC(=O)Cc1ccc([O-])c(Br)c1)Cc1ccc(C(C)(C)C)cc1 ZINC000064454394 562705771 /nfs/dbraw/zinc/70/57/71/562705771.db2.gz SCAGZYOBIABQAU-HXUWFJFHSA-N -1 3 518.492 5.559 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000066139089 562713417 /nfs/dbraw/zinc/71/34/17/562713417.db2.gz HPUMWFTUTXMAAY-RLYJWURVSA-N -1 3 613.780 5.507 3 0 KKAFHM CC(C)=CCC/C(C)=C/COc1cc2oc(-c3ccccc3)cc([O-])c-2c(=O)c1OC/C=C(\C)CCC=C(C)C ZINC000071280882 562716593 /nfs/dbraw/zinc/71/65/93/562716593.db2.gz HUJHLPJSELMVRD-BFNWXZRRSA-N -1 3 542.716 9.309 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C(=O)[O-])c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000071295183 562717131 /nfs/dbraw/zinc/71/71/31/562717131.db2.gz FKSZETRAJNMSIC-UHFFFAOYSA-N -1 3 630.701 6.056 1 0 KKAFHM CC(=O)Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4cccc(C(C)(C)C)c4)c3)cc2s1 ZINC000071318639 562718583 /nfs/dbraw/zinc/71/85/83/562718583.db2.gz RGEBDUAFRMIURN-UHFFFAOYSA-N -1 3 515.060 6.068 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@H](C)OC(=O)C2CCCCC2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072113495 562722365 /nfs/dbraw/zinc/72/23/65/562722365.db2.gz ANLROQJJKYCCEY-OAQYLSRUSA-N -1 3 600.720 5.585 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@H](C)OC(=O)C2CCCCC2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072113495 562722366 /nfs/dbraw/zinc/72/23/66/562722366.db2.gz ANLROQJJKYCCEY-OAQYLSRUSA-N -1 3 600.720 5.585 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@@H](C)OC(=O)C2CCCCC2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072113494 562722378 /nfs/dbraw/zinc/72/23/78/562722378.db2.gz ANLROQJJKYCCEY-NRFANRHFSA-N -1 3 600.720 5.585 1 0 KKAFHM CCCc1nc(C(C)(C)O)c(C(=O)O[C@@H](C)OC(=O)C2CCCCC2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072113494 562722379 /nfs/dbraw/zinc/72/23/79/562722379.db2.gz ANLROQJJKYCCEY-NRFANRHFSA-N -1 3 600.720 5.585 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000072138230 562728686 /nfs/dbraw/zinc/72/86/86/562728686.db2.gz GXKDIXWJBMOWDK-DSNGTPCMSA-N -1 3 652.667 5.029 3 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nccn4c(-c5ccccc5Oc5ccccc5)cnc34)cc2)cc1 ZINC000072139971 562729123 /nfs/dbraw/zinc/72/91/23/562729123.db2.gz YVXJRSSNMRQUQJ-UHFFFAOYSA-N -1 3 547.640 7.041 3 0 KKAFHM CCCCCNc1ccc2c(c1)[N-]C(=S)[C@@H](c1ccc(Cl)cc1)N([C@@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073139787 562733497 /nfs/dbraw/zinc/73/34/97/562733497.db2.gz UOEMUDYIXWSFSB-CLJLJLNGSA-N -1 3 570.542 7.446 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC(C)C)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073139775 562733520 /nfs/dbraw/zinc/73/35/20/562733520.db2.gz AWDKTLMYWKHMKD-LOSJGSFVSA-N -1 3 556.515 6.912 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccco3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073140512 562733581 /nfs/dbraw/zinc/73/35/81/562733581.db2.gz FCJHQDZZLYGFEJ-CLJLJLNGSA-N -1 3 580.493 7.049 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC3CCCCC3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073141710 562733694 /nfs/dbraw/zinc/73/36/94/562733694.db2.gz XVGRRMHFBUOUSZ-VSGBNLITSA-N -1 3 596.580 7.836 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC3CCCCC3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073141717 562733721 /nfs/dbraw/zinc/73/37/21/562733721.db2.gz XVGRRMHFBUOUSZ-NSOVKSMOSA-N -1 3 596.580 7.836 1 0 KKAFHM CCCNc1ccc2c(c1)[N-]C(=S)[C@@H](c1ccc(Cl)cc1)N([C@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073156387 562733830 /nfs/dbraw/zinc/73/38/30/562733830.db2.gz ARVWKZBBDJPUMU-RPWUZVMVSA-N -1 3 542.488 6.666 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccccc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073156407 562733835 /nfs/dbraw/zinc/73/38/35/562733835.db2.gz BJRHXSDSVNQOPW-IZLXSDGUSA-N -1 3 590.532 7.456 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccccc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073156409 562733861 /nfs/dbraw/zinc/73/38/61/562733861.db2.gz BJRHXSDSVNQOPW-WUFINQPMSA-N -1 3 590.532 7.456 1 0 KKAFHM CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4[S@](=O)CCO)n3c2)n(-c2ccc([O-])c(Cl)c2)n1 ZINC000082138012 562739130 /nfs/dbraw/zinc/73/91/30/562739130.db2.gz XPMPOYNLDHECJT-GGCSAXROSA-N -1 3 716.289 6.811 1 0 KKAFHM C[C@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Oc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000082150789 562739887 /nfs/dbraw/zinc/73/98/87/562739887.db2.gz GAZVPCRVUAJMJO-XMMPIXPASA-N -1 3 647.603 7.559 1 0 KKAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ccc(C(F)(F)F)cc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084617263 562744840 /nfs/dbraw/zinc/74/48/40/562744840.db2.gz KWNOUBVBEBGONG-IBGZPJMESA-N -1 3 623.709 5.668 1 0 KKAFHM O=C(NCCCCCCCCCCNc1c2c(nc3cc(Cl)cc(Cl)c31)CCCC2)c1cc(O)c2c([O-])cc(=O)cc-2o1 ZINC000084619667 562745331 /nfs/dbraw/zinc/74/53/31/562745331.db2.gz AWEIPXRUFDVNHO-UHFFFAOYSA-N -1 3 626.581 7.901 1 0 KKAFHM CC(C)(O)CCC[C@H](C/C=C/[C@]([O-])(C(C)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C ZINC000084634729 562745961 /nfs/dbraw/zinc/74/59/61/562745961.db2.gz HCSTZBZVFMMHPS-RVBVKJFESA-N -1 3 592.730 7.414 1 0 KKAFHM CC(C)(C)C(=O)OC[C@H](CCc1ccc(C(C)(C)C)cc1)NC(=S)NCc1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000084668681 562747693 /nfs/dbraw/zinc/74/76/93/562747693.db2.gz POAIXNAMABBBQC-QFIPXVFZSA-N -1 3 565.777 5.050 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)ccc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687356 562748887 /nfs/dbraw/zinc/74/88/87/562748887.db2.gz VTEPOEPLGVFUFO-RTWAWAEBSA-N -1 3 503.382 5.983 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)c(F)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687999 562749055 /nfs/dbraw/zinc/74/90/55/562749055.db2.gz WRYKQKGTDQVJIF-NHCUHLMSSA-N -1 3 521.372 6.122 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cccc(Cl)c2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690626 562749697 /nfs/dbraw/zinc/74/96/97/562749697.db2.gz FALALMAPVFZVGJ-NHCUHLMSSA-N -1 3 519.837 6.498 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cccc(Cl)c2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690627 562749704 /nfs/dbraw/zinc/74/97/04/562749704.db2.gz FALALMAPVFZVGJ-RTWAWAEBSA-N -1 3 519.837 6.498 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccc(F)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084707610 562750124 /nfs/dbraw/zinc/75/01/24/562750124.db2.gz CMYRNZFWVJZQTQ-UHFFFAOYSA-N -1 3 573.676 6.304 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccc(F)cc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084707610 562750125 /nfs/dbraw/zinc/75/01/25/562750125.db2.gz CMYRNZFWVJZQTQ-UHFFFAOYSA-N -1 3 573.676 6.304 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Cl)cc2[N-]C(=S)[C@@H]1c1ccc(OC)cc1 ZINC000084742222 562752243 /nfs/dbraw/zinc/75/22/43/562752243.db2.gz JYOIWJYTIQLODF-VXKWHMMOSA-N -1 3 515.418 5.853 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000095544762 562757841 /nfs/dbraw/zinc/75/78/41/562757841.db2.gz OXFSANVEEVGUSC-OKRUAUFTSA-N -1 3 777.479 6.197 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)CC1 ZINC000095544763 562757849 /nfs/dbraw/zinc/75/78/49/562757849.db2.gz OXFSANVEEVGUSC-URBDOXFBSA-N -1 3 777.479 6.197 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(C(F)(F)F)nc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559213 562762637 /nfs/dbraw/zinc/76/26/37/562762637.db2.gz QPHHSLBLTLBSOS-WXTAPIANSA-N -1 3 550.543 7.796 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560472 562763066 /nfs/dbraw/zinc/76/30/66/562763066.db2.gz DUXONYIBZGWJQJ-XHCCPWGMSA-N -1 3 516.003 8.035 1 0 KKAFHM C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(=O)CCCCCNC(=O)c6ccccc6[O-])CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000095560686 562763174 /nfs/dbraw/zinc/76/31/74/562763174.db2.gz CCBREISFXNKACS-TVKSFJNYSA-N -1 3 647.897 7.961 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095567520 562765868 /nfs/dbraw/zinc/76/58/68/562765868.db2.gz XVJMWCXMALPRRA-USUMGCFOSA-N -1 3 661.796 5.700 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095568294 562766514 /nfs/dbraw/zinc/76/65/14/562766514.db2.gz KHFPDWFEACXBKS-DGHZZKTQSA-N -1 3 678.251 6.214 1 0 KKAFHM COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095570238 562768024 /nfs/dbraw/zinc/76/80/24/562768024.db2.gz XHKHZLHSPYTKDF-MJZSVGSSSA-N -1 3 690.838 5.965 3 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000095570822 562768556 /nfs/dbraw/zinc/76/85/56/562768556.db2.gz RPRLDAPZKHIQPO-MZXMJASYSA-N -1 3 643.806 5.940 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccncc1 ZINC000095571650 562769157 /nfs/dbraw/zinc/76/91/57/562769157.db2.gz TYAQPRZVFIYBKJ-NTEUORMPSA-N -1 3 605.739 5.829 1 0 KKAFHM Cc1cn([C@H]2CCCN([C@H](CC3CCOCC3)c3ccc(C(=O)[O-])c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095571782 562769193 /nfs/dbraw/zinc/76/91/93/562769193.db2.gz SJVBLLCXDBZHFN-JYFHCDHNSA-N -1 3 568.070 5.184 1 0 KKAFHM Cc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)cn1 ZINC000095572171 562769356 /nfs/dbraw/zinc/76/93/56/562769356.db2.gz UKDRQVXFPRWMAR-GZTJUZNOSA-N -1 3 619.766 6.137 1 0 KKAFHM COc1ccc(C2=NN(C(=O)c3cc(OC)ccc3[O-])[C@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000095575539 562770402 /nfs/dbraw/zinc/77/04/02/562770402.db2.gz AJQIRNNIQSVXJP-LJAQVGFWSA-N -1 3 508.574 5.980 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccoc1 ZINC000095575820 562770499 /nfs/dbraw/zinc/77/04/99/562770499.db2.gz RULFHSFABIFJLL-NTEUORMPSA-N -1 3 594.712 6.027 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1cscn1 ZINC000095576445 562770691 /nfs/dbraw/zinc/77/06/91/562770691.db2.gz HZWROAHIRNWKEV-NTEUORMPSA-N -1 3 611.768 5.890 1 0 KKAFHM O=c1oc2ccc(Cl)cc2cc1-c1csc(N2N=C(c3ccc(F)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000095589392 562774951 /nfs/dbraw/zinc/77/49/51/562774951.db2.gz LZZMDMYVYVLYBP-OAQYLSRUSA-N -1 3 509.868 5.574 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598789 562777583 /nfs/dbraw/zinc/77/75/83/562777583.db2.gz LFZLAWVTNRSJHJ-CCSCYZPPSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600357 562778874 /nfs/dbraw/zinc/77/88/74/562778874.db2.gz AOVZEKKCHSEONH-BWLKTWDLSA-N -1 3 655.833 5.554 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600549 562779024 /nfs/dbraw/zinc/77/90/24/562779024.db2.gz UQRVVYXDOOLUAO-CZWSTMTISA-N -1 3 723.830 6.573 1 0 KKAFHM O=C(C[C@@H]1C[C@@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095601348 562779577 /nfs/dbraw/zinc/77/95/77/562779577.db2.gz BHEWHBNGLCOXBN-SWADQOEESA-N -1 3 618.683 5.120 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095601980 562779844 /nfs/dbraw/zinc/77/98/44/562779844.db2.gz ZBBNPLMVFVREHD-RIKJNLPISA-N -1 3 719.867 6.742 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095601981 562779864 /nfs/dbraw/zinc/77/98/64/562779864.db2.gz LGFCYAUQAJYOOY-XDAUYTPDSA-N -1 3 711.869 6.495 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603063 562780364 /nfs/dbraw/zinc/78/03/64/562780364.db2.gz UIKXZKCHSBRXDR-ZUDLYUOYSA-N -1 3 705.840 6.434 1 0 KKAFHM c1ccc(CSc2nc3ccccc3c(SCc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)n2)cc1 ZINC000095605008 562781321 /nfs/dbraw/zinc/78/13/21/562781321.db2.gz NJEXEHGXLOXYBZ-UHFFFAOYSA-N -1 3 518.671 7.062 1 0 KKAFHM c1ccc(CSc2nc3ccccc3c(SCc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)n2)cc1 ZINC000095605008 562781322 /nfs/dbraw/zinc/78/13/22/562781322.db2.gz NJEXEHGXLOXYBZ-UHFFFAOYSA-N -1 3 518.671 7.062 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCC(F)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095607133 562782639 /nfs/dbraw/zinc/78/26/39/562782639.db2.gz MTMUFVRWSFFHDU-WGDIFIGCSA-N -1 3 503.511 7.223 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccccc3)cccc2C1=O ZINC000095846276 562789504 /nfs/dbraw/zinc/78/95/04/562789504.db2.gz HPUMWFTUTXMAAY-ZJDJHBDQSA-N -1 3 613.780 5.507 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095854216 562789599 /nfs/dbraw/zinc/78/95/99/562789599.db2.gz BZQGFEPSUFQXHE-DSRMTXSPSA-N -1 3 648.225 6.160 1 0 KKAFHM COCCN1CC[C@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175759 562791992 /nfs/dbraw/zinc/79/19/92/562791992.db2.gz KEQFQZOUNFMJHA-QHCPKHFHSA-N -1 3 661.829 5.442 1 0 KKAFHM COc1ccc(CSc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096286065 562795991 /nfs/dbraw/zinc/79/59/91/562795991.db2.gz AZKQDYNHIYABDJ-OAHLLOKOSA-N -1 3 571.618 5.332 1 0 KKAFHM COc1ccc(NC(=O)[N-]c2nc3nn(Cc4cccc5ccccc54)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000096308853 562796467 /nfs/dbraw/zinc/79/64/67/562796467.db2.gz VLHYTYIUFKCLLE-UHFFFAOYSA-N -1 3 530.548 5.588 1 0 KKAFHM COc1ccc2nccc([C@@H](O)CC[C@@H]3CCN(C4CC(c5c(F)cccc5F)C4)C[C@@H]3C(=O)[O-])c2c1 ZINC000096910297 562799939 /nfs/dbraw/zinc/79/99/39/562799939.db2.gz FZLRGYMRPZHZOB-AAWLLVPVSA-N -1 3 510.581 5.304 1 0 KKAFHM CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)[C@@]2(CCc3cc([O-])c(-c4cnn(C)c4)cc32)C1=O ZINC000096922344 562801791 /nfs/dbraw/zinc/80/17/91/562801791.db2.gz IJOQVRAAKQSXLL-GDLZYMKVSA-N -1 3 546.549 5.727 1 0 KKAFHM CCCCc1nc2ccn(-c3cccs3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103195802 562815831 /nfs/dbraw/zinc/81/58/31/562815831.db2.gz LINVQEDPWSEFTL-UHFFFAOYSA-N -1 3 507.623 5.487 1 0 KKAFHM CCCCc1nc2ccn(-c3cccs3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103195802 562815832 /nfs/dbraw/zinc/81/58/32/562815832.db2.gz LINVQEDPWSEFTL-UHFFFAOYSA-N -1 3 507.623 5.487 1 0 KKAFHM CCOC(=O)CCN(Cc1ccccc1)SN(C([O-])=NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000103201961 562816149 /nfs/dbraw/zinc/81/61/49/562816149.db2.gz KIXGEQDNTFXRAF-UHFFFAOYSA-N -1 3 597.562 6.238 1 0 KKAFHM CCOC(=O)CCN(Cc1ccccc1)SN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000103201961 562816150 /nfs/dbraw/zinc/81/61/50/562816150.db2.gz KIXGEQDNTFXRAF-UHFFFAOYSA-N -1 3 597.562 6.238 1 0 KKAFHM Cc1cccc(CN2CCC3(CC2)c2cc(C(=O)[O-])ccc2N(c2ccc(-c4ccccc4)cc2)C3=O)n1 ZINC000103264983 562822066 /nfs/dbraw/zinc/82/20/66/562822066.db2.gz OHELAUABQBPPGI-UHFFFAOYSA-N -1 3 503.602 5.967 1 0 KKAFHM O=c1c(OCCCCN2CCOCC2)c(OCc2ccccc2)cc2oc(-c3ccccc3)cc([O-])c1-2 ZINC000103271020 562822994 /nfs/dbraw/zinc/82/29/94/562822994.db2.gz KUOCIJRZZSPKEY-UHFFFAOYSA-N -1 3 501.579 5.236 1 0 KKAFHM O=c1cc(-c2ccccc2)oc2cc(OCc3ccccc3)c(OCCCCN3CCOCC3)c([O-])c12 ZINC000103271020 562822995 /nfs/dbraw/zinc/82/29/95/562822995.db2.gz KUOCIJRZZSPKEY-UHFFFAOYSA-N -1 3 501.579 5.236 1 0 KKAFHM CN1CCc2cc3c4cc2[C@H]1Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]1c2c(cc([O-])c(c2O4)O3)CCN1C ZINC000105485377 562825312 /nfs/dbraw/zinc/82/53/12/562825312.db2.gz CUWLASKQLWUARF-FTJBHMTQSA-N -1 3 548.639 6.645 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(NCCN(C)C)nc1 ZINC000114034196 562826946 /nfs/dbraw/zinc/82/69/46/562826946.db2.gz JTPWVKGSBLELHK-UHFFFAOYSA-N -1 3 510.425 6.229 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1)C1CC1 ZINC000114035739 562827058 /nfs/dbraw/zinc/82/70/58/562827058.db2.gz MOOWYWLOHNKDIF-UHFFFAOYSA-N -1 3 534.447 6.055 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cnc(N2CCNCC2)nc1)C1CC1 ZINC000114038275 562827236 /nfs/dbraw/zinc/82/72/36/562827236.db2.gz IFXWBYJQKWQIIZ-UHFFFAOYSA-N -1 3 535.435 5.450 1 0 KKAFHM CN(C)CCN1CCC(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000114038029 562827291 /nfs/dbraw/zinc/82/72/91/562827291.db2.gz VGVPCQQEFRJMRG-UHFFFAOYSA-N -1 3 527.496 5.945 1 0 KKAFHM CCCC(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1 ZINC000114039185 562827414 /nfs/dbraw/zinc/82/74/14/562827414.db2.gz ZQVPBPZIPGSCOP-UHFFFAOYSA-N -1 3 520.008 5.931 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cnc(-c5ccccc5)nc4-c4ccc(F)cc4)CC3)OC2=O)cc1 ZINC000114355310 562828116 /nfs/dbraw/zinc/82/81/16/562828116.db2.gz IKHBDPWNKAPEOG-UHFFFAOYSA-N -1 3 538.579 5.639 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1 ZINC000114356279 562828145 /nfs/dbraw/zinc/82/81/45/562828145.db2.gz YNSIPFIOAUUUGO-UHFFFAOYSA-N -1 3 561.013 6.021 1 0 KKAFHM CCOc1cc(CN2CCC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114356516 562828170 /nfs/dbraw/zinc/82/81/70/562828170.db2.gz RXJQADLHFADIBA-JGCGQSQUSA-N -1 3 562.638 6.370 1 0 KKAFHM O=S(=O)([N-]CCCCN1CCN(c2nsc3ccccc32)CC1)c1cc2ccc(Cl)cc2s1 ZINC000114603147 562828373 /nfs/dbraw/zinc/82/83/73/562828373.db2.gz JJLIADRRWNTBBL-UHFFFAOYSA-N -1 3 521.133 5.045 1 0 KKAFHM C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CC(=O)[O-])CC4)no2)cc1C(F)(F)F ZINC000118855141 562830770 /nfs/dbraw/zinc/83/07/70/562830770.db2.gz RXXGDFABSRPZNI-INIZCTEOSA-N -1 3 500.521 5.244 1 0 KKAFHM COc1ccc(CC2CCC(O)CC2)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000138460853 562831914 /nfs/dbraw/zinc/83/19/14/562831914.db2.gz WEXLZNCYDYYCTB-UHFFFAOYSA-N -1 3 575.735 5.338 1 0 KKAFHM Cc1cccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000138625839 562832091 /nfs/dbraw/zinc/83/20/91/562832091.db2.gz USRLUSYJJVHIKR-SANMLTNESA-N -1 3 609.711 6.793 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](Cc2ccccc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138709471 562832158 /nfs/dbraw/zinc/83/21/58/562832158.db2.gz CQRNFKZUIPAJDW-HSZRJFAPSA-N -1 3 592.659 5.490 1 0 KKAFHM Cc1ccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000138747134 562832160 /nfs/dbraw/zinc/83/21/60/562832160.db2.gz OPIXMECYNNTCAZ-AREMUKBSSA-N -1 3 609.711 6.793 1 0 KKAFHM Cc1ccccc1[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138780667 562832178 /nfs/dbraw/zinc/83/21/78/562832178.db2.gz YMOVRMWTEMKADF-AREMUKBSSA-N -1 3 592.659 5.604 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](c2ccc([N-]S(C)(=O)=O)c(F)c2)C2CCCC2)CC1 ZINC000138780407 562832196 /nfs/dbraw/zinc/83/21/96/562832196.db2.gz GTVYDJJNJYGPKF-XMMPIXPASA-N -1 3 570.653 5.438 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](c2ccc(F)cc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138781313 562832200 /nfs/dbraw/zinc/83/22/00/562832200.db2.gz DGJXNOYOQIWTFF-RUZDIDTESA-N -1 3 596.622 5.435 1 0 KKAFHM CC(C)(Cc1ccc(F)cc1)NC(=O)c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[n-]2)cc1 ZINC000139541265 562832594 /nfs/dbraw/zinc/83/25/94/562832594.db2.gz TZCYEHPZFRVSNN-UHFFFAOYSA-N -1 3 508.553 5.871 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cc(C)cs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142847388 562834361 /nfs/dbraw/zinc/83/43/61/562834361.db2.gz DSWFZZGDYFLCAR-RDGATRHJSA-N -1 3 597.586 6.108 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000143196193 562834757 /nfs/dbraw/zinc/83/47/57/562834757.db2.gz XRQGFFRGXFLCEX-QPPBQGQZSA-N -1 3 583.559 5.799 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc2cnc(C(F)(F)F)cc21 ZINC000144551453 562836382 /nfs/dbraw/zinc/83/63/82/562836382.db2.gz ACKMGEPOXULCMP-UHFFFAOYSA-N -1 3 529.515 5.342 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4Cl)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144549918 562836417 /nfs/dbraw/zinc/83/64/17/562836417.db2.gz LCDJISQRTVZFHE-UHFFFAOYSA-N -1 3 589.010 6.821 1 0 KKAFHM Cc1cc(-c2ccc(F)nc2)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1Cl ZINC000144622884 562836529 /nfs/dbraw/zinc/83/65/29/562836529.db2.gz BRWNZHZJQNZMMD-UHFFFAOYSA-N -1 3 509.965 5.539 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCCCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145256610 562836955 /nfs/dbraw/zinc/83/69/55/562836955.db2.gz AIQNUCNHLLCWSW-KRWDZBQOSA-N -1 3 529.600 5.406 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145714647 562837500 /nfs/dbraw/zinc/83/75/00/562837500.db2.gz YAHNYLHLVBTIGO-HNNXBMFYSA-N -1 3 516.557 5.347 1 0 KKAFHM CCCCCCOc1nc(C(F)(F)F)cc(C)c1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145691986 562837516 /nfs/dbraw/zinc/83/75/16/562837516.db2.gz XGRJYEAKSQJCCL-INIZCTEOSA-N -1 3 533.588 5.298 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(c2ccc(F)cc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145685962 562837529 /nfs/dbraw/zinc/83/75/29/562837529.db2.gz WMQSELOGNNSWDT-SFHVURJKSA-N -1 3 595.634 6.159 1 0 KKAFHM COc1ccc(-c2cc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000145858142 562837652 /nfs/dbraw/zinc/83/76/52/562837652.db2.gz MELPGTMHQUBDIX-OAHLLOKOSA-N -1 3 524.536 5.312 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1-c1cccc(F)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145973689 562837821 /nfs/dbraw/zinc/83/78/21/562837821.db2.gz VNEPEMBLAATKHM-CQSZACIVSA-N -1 3 512.500 5.442 1 0 KKAFHM Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc([N-]S(=O)(=O)c5cccc(Br)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000150538930 562844084 /nfs/dbraw/zinc/84/40/84/562844084.db2.gz DGOMTRBHBFEUNG-UHFFFAOYSA-N -1 3 859.335 7.578 1 0 KKAFHM COc1ccc(Br)c(C(=O)[N-]N2C(=O)CS[C@H]2C2=C(Cl)c3ccccc3[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 ZINC000150578457 562845413 /nfs/dbraw/zinc/84/54/13/562845413.db2.gz FDOQNEKCGTVVCN-CLYVBNDRSA-N -1 3 638.798 7.497 1 0 KKAFHM CCN1C[C@]23COC[C@@]2(C1)CN(C(=O)[C@]12C[C@H]1c1cc(OC)ccc1-c1c(C4CCCCC4)c4ccc(C(=O)[N-]S(=O)(=O)C(C)C)cc4n1C2)C3 ZINC000165388557 562850168 /nfs/dbraw/zinc/85/01/68/562850168.db2.gz PMMFUDHSUGPJEB-BRXSWJRSSA-N -1 3 714.929 5.501 1 0 KKAFHM COc1cc(/C=C/c2cc3[nH]c(CC=C(C)C)cc3c([O-])c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311103 562855010 /nfs/dbraw/zinc/85/50/10/562855010.db2.gz MNHNWDJTAYOITL-XTDLGYLMSA-N -1 3 501.667 7.052 1 0 KKAFHM CCOc1nc2cccc(C(=O)NC(C)(C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169320927 562856518 /nfs/dbraw/zinc/85/65/18/562856518.db2.gz RFXUUZWHJZMGLQ-UHFFFAOYSA-N -1 3 557.658 5.996 1 0 KKAFHM CCOc1nc2cccc(C(=O)NC(C)(C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169320927 562856519 /nfs/dbraw/zinc/85/65/19/562856519.db2.gz RFXUUZWHJZMGLQ-UHFFFAOYSA-N -1 3 557.658 5.996 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3ccccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324749 562857453 /nfs/dbraw/zinc/85/74/53/562857453.db2.gz VQLXTUSTWGCVRP-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3ccccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324749 562857454 /nfs/dbraw/zinc/85/74/54/562857454.db2.gz VQLXTUSTWGCVRP-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324706 562857465 /nfs/dbraw/zinc/85/74/65/562857465.db2.gz IAQNRLHXVDQDDN-NRFANRHFSA-N -1 3 543.631 5.821 1 0 KKAFHM CCOc1nc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324706 562857466 /nfs/dbraw/zinc/85/74/66/562857466.db2.gz IAQNRLHXVDQDDN-NRFANRHFSA-N -1 3 543.631 5.821 1 0 KKAFHM CCOc1nc2cccc(C(=O)NC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324738 562857498 /nfs/dbraw/zinc/85/74/98/562857498.db2.gz ZFPINJRFYAKCCI-UHFFFAOYSA-N -1 3 521.625 5.393 1 0 KKAFHM CCOc1nc2cccc(C(=O)NC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324738 562857499 /nfs/dbraw/zinc/85/74/99/562857499.db2.gz ZFPINJRFYAKCCI-UHFFFAOYSA-N -1 3 521.625 5.393 1 0 KKAFHM COc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc1OC ZINC000169339699 562860461 /nfs/dbraw/zinc/86/04/61/562860461.db2.gz FAIYYEPILNPQNK-PMERELPUSA-N -1 3 613.740 5.314 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=S)NC4CCCCC4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000169339744 562860497 /nfs/dbraw/zinc/86/04/97/562860497.db2.gz TWOPZJKXVFEKDX-LJAQVGFWSA-N -1 3 561.777 5.594 1 0 KKAFHM CC(C)c1cc(Oc2c(I)cc(C[C@H]([NH3+])C(=O)[O-])cc2I)cc(Cl)c1[O-] ZINC000169345465 562861617 /nfs/dbraw/zinc/86/16/17/562861617.db2.gz RHTQRHNIJVBRPX-HNNXBMFYSA-N -1 3 601.606 5.125 1 0 KKAFHM CC(C)c1cc(Oc2c(I)cc(C[C@@H]([NH3+])C(=O)[O-])cc2I)cc(Br)c1[O-] ZINC000169345466 562861623 /nfs/dbraw/zinc/86/16/23/562861623.db2.gz VSEVGFDUXUONKS-OAHLLOKOSA-N -1 3 646.057 5.234 1 0 KKAFHM Clc1ccc(-c2csc([N-]c3cc(-c4ccc(Cl)cc4)n(-c4nc(-c5ccc(Cl)cc5)cs4)n3)n2)cc1 ZINC000169350094 562862765 /nfs/dbraw/zinc/86/27/65/562862765.db2.gz UPDDQEILNNPYGW-UHFFFAOYSA-N -1 3 580.953 9.490 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc([N-]S(=O)(=O)c3cc(F)cc(F)c3)c2F)n1 ZINC000169694681 562865507 /nfs/dbraw/zinc/86/55/07/562865507.db2.gz ADIBMGVABOADNT-ZDUSSCGKSA-N -1 3 636.056 5.439 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(=O)(=O)c3cc(F)cc(F)c3)c2F)n1 ZINC000169694681 562865508 /nfs/dbraw/zinc/86/55/08/562865508.db2.gz ADIBMGVABOADNT-ZDUSSCGKSA-N -1 3 636.056 5.439 1 0 KKAFHM C[S@](=O)CCOc1ccccc1[C@@H]1C(C(=O)C(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695187 562865743 /nfs/dbraw/zinc/86/57/43/562865743.db2.gz DIMBCIACPAMNME-LZALDBEUSA-N -1 3 523.676 5.061 1 0 KKAFHM COCCOc1cc(F)ccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695948 562865894 /nfs/dbraw/zinc/86/58/94/562865894.db2.gz MFHBGVIYHUPDMO-IZZNHLLZSA-N -1 3 509.599 5.468 1 0 KKAFHM COCCOc1cc(F)ccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169695947 562865910 /nfs/dbraw/zinc/86/59/10/562865910.db2.gz MFHBGVIYHUPDMO-FTJBHMTQSA-N -1 3 509.599 5.468 1 0 KKAFHM COCCOc1ncccc1[C@H]1C(C(=O)CC(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696275 562865928 /nfs/dbraw/zinc/86/59/28/562865928.db2.gz GGEJOOVCJBQBPQ-RPWUZVMVSA-N -1 3 506.624 5.114 1 0 KKAFHM COCCOc1ncccc1[C@@H]1C(C(=O)CC(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696276 562865934 /nfs/dbraw/zinc/86/59/34/562865934.db2.gz GGEJOOVCJBQBPQ-BJKOFHAPSA-N -1 3 506.624 5.114 1 0 KKAFHM CN(C)C(=O)c1ccccc1[C@H]1C(C(=O)CC(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696283 562865964 /nfs/dbraw/zinc/86/59/64/562865964.db2.gz UDMBUOHYBXKLPN-RPBOFIJWSA-N -1 3 502.636 5.395 1 0 KKAFHM CC(C)CC(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1N1CCOCC1 ZINC000169696195 562865974 /nfs/dbraw/zinc/86/59/74/562865974.db2.gz IWRZFDVRNKFXFJ-SXOMAYOGSA-N -1 3 502.636 5.140 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000169696429 562866044 /nfs/dbraw/zinc/86/60/44/562866044.db2.gz NZRZNSFGOKNWKN-AHWVRZQESA-N -1 3 518.635 5.572 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202735602 562873911 /nfs/dbraw/zinc/87/39/11/562873911.db2.gz VOYNOXORQINFJI-ZEQRLZLVSA-N -1 3 549.114 5.146 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc2c(c1)CC[C@H]2N(C)C ZINC000203800669 562874151 /nfs/dbraw/zinc/87/41/51/562874151.db2.gz TZBZMFHYXWJHRD-AREMUKBSSA-N -1 3 506.433 7.409 1 0 KKAFHM CCCC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(CN(C)C)cc1 ZINC000203798439 562874162 /nfs/dbraw/zinc/87/41/62/562874162.db2.gz WTJVJVBCSMSHDB-UHFFFAOYSA-N -1 3 508.449 7.702 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2cccc(F)c2)cc1F ZINC000204116929 562874322 /nfs/dbraw/zinc/87/43/22/562874322.db2.gz OZRXHDUHGXFVID-RUZDIDTESA-N -1 3 613.674 6.623 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](c2ccc([N-]S(C)(=O)=O)c(F)c2)C2CCCCC2)CC1 ZINC000204119027 562874361 /nfs/dbraw/zinc/87/43/61/562874361.db2.gz XQGRBLSMXCQIMI-VWLOTQADSA-N -1 3 584.680 5.828 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nccn4cc(-c5ccccc5Oc5ccccc5)nc34)cc2)cc1 ZINC000206592760 562876463 /nfs/dbraw/zinc/87/64/63/562876463.db2.gz NMMICRAGPPGVKH-UHFFFAOYSA-N -1 3 547.640 7.041 1 0 KKAFHM Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)[N-][C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1 ZINC000224739594 562880506 /nfs/dbraw/zinc/88/05/06/562880506.db2.gz WVLDAHGODCHUNA-QHCPKHFHSA-N -1 3 502.493 5.114 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@@H](C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299831415 562885565 /nfs/dbraw/zinc/88/55/65/562885565.db2.gz BRNKHWSYACFKQC-OXJNMPFZSA-N -1 3 555.638 6.261 1 0 KKAFHM CC(C)(C)c1ccc(NC(=O)N2CCc3cc(S(=O)(=O)[N-]c4ccc(F)cc4F)cc(N4CCCC4=O)c32)cc1 ZINC000473134787 562900565 /nfs/dbraw/zinc/90/05/65/562900565.db2.gz HWIHUBFUVPVQPG-UHFFFAOYSA-N -1 3 568.646 5.785 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccc(F)cc3)cc1)CC2 ZINC000473135983 562900922 /nfs/dbraw/zinc/90/09/22/562900922.db2.gz MHQPOEYODAZTSH-UHFFFAOYSA-N -1 3 589.689 5.497 1 0 KKAFHM CCCCSc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473154343 562902111 /nfs/dbraw/zinc/90/21/11/562902111.db2.gz GKFCVBQQNUGUOA-CQSZACIVSA-N -1 3 506.587 5.528 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccco1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473156013 562902424 /nfs/dbraw/zinc/90/24/24/562902424.db2.gz SGEDUZSJFQPDGW-AWEZNQCLSA-N -1 3 530.565 5.521 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN2CCN(C)CC2)CC1 ZINC000473179713 562903444 /nfs/dbraw/zinc/90/34/44/562903444.db2.gz DZCVKLULWMGNET-XYWHTSSQSA-N -1 3 541.523 5.757 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@H]1CC[C@H](NC(=O)[C@H](N)C(C)C)CC1 ZINC000473198577 562903738 /nfs/dbraw/zinc/90/37/38/562903738.db2.gz PRXOLTBHQZKAOZ-MPCDZSKCSA-N -1 3 543.495 5.361 1 0 KKAFHM C[C@]12CC[C@@H]3c4cc(Br)c([O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000474605907 562905322 /nfs/dbraw/zinc/90/53/22/562905322.db2.gz GSHZENZCQLYHHC-JFDOVZFRSA-N -1 3 558.460 6.377 1 0 KKAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(C[NH+]3CCCC3)c2)C(=O)c2cc(Cl)c([O-])cc2[O-])cc1 ZINC000653672849 562906187 /nfs/dbraw/zinc/90/61/87/562906187.db2.gz CVOZKXRUCRBXSM-UHFFFAOYSA-N -1 3 563.485 6.613 1 0 KKAFHM Cc1ccc(CN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000653697140 562907117 /nfs/dbraw/zinc/90/71/17/562907117.db2.gz WSRVBKYIHBHJIK-FQEVSTJZSA-N -1 3 696.720 5.874 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653697661 562907126 /nfs/dbraw/zinc/90/71/26/562907126.db2.gz IRVXNAGLDWULOL-SFHVURJKSA-N -1 3 668.666 5.697 1 0 KKAFHM Cc1nc(S(=O)(=O)C(C)C)c([N-]c2nc(Nc3cc(C)c(C4CCN(C)CC4)cc3OC3CC3)ncc2Cl)s1 ZINC000653729300 562909373 /nfs/dbraw/zinc/90/93/73/562909373.db2.gz FVYFUBBESBXRRY-UHFFFAOYSA-N -1 3 591.203 6.223 1 0 KKAFHM CCCc1nc2c(cc(C(=S)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653748856 562910555 /nfs/dbraw/zinc/91/05/55/562910555.db2.gz YOKNOJUOHOOMSK-XMMPIXPASA-N -1 3 585.781 7.261 1 0 KKAFHM CCCc1nc2c(cc(C(=S)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653748856 562910556 /nfs/dbraw/zinc/91/05/56/562910556.db2.gz YOKNOJUOHOOMSK-XMMPIXPASA-N -1 3 585.781 7.261 1 0 KKAFHM CCCSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653755665 562910886 /nfs/dbraw/zinc/91/08/86/562910886.db2.gz ONDPIKSLHQPDEN-XMMPIXPASA-N -1 3 601.780 7.276 1 0 KKAFHM CCCSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653755665 562910887 /nfs/dbraw/zinc/91/08/87/562910887.db2.gz ONDPIKSLHQPDEN-XMMPIXPASA-N -1 3 601.780 7.276 1 0 KKAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C[NH+]3CCCC3)cc2)C(=O)c2cc(Cl)c([O-])cc2[O-])cc1 ZINC000653757363 562911052 /nfs/dbraw/zinc/91/10/52/562911052.db2.gz JEHRFGQQIBNZNA-UHFFFAOYSA-N -1 3 563.485 6.613 1 0 KKAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@@H](O)CSc4ncn(Cc5ccc(Cl)c(Cl)c5)n4)C3)c(F)cc2c1=O ZINC000653799391 562913260 /nfs/dbraw/zinc/91/32/60/562913260.db2.gz RQUKMCBLMMCRTB-FUHWJXTLSA-N -1 3 682.005 5.095 1 0 KKAFHM CC(C)(C)OC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc(N)c(OCCc2ccc([O-])c(Cl)c2)c1 ZINC000653861062 562915989 /nfs/dbraw/zinc/91/59/89/562915989.db2.gz LRZPVSQBZOEXJY-DEOSSOPVSA-N -1 3 525.045 5.322 1 0 KKAFHM COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc(-c3ccc4c5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5ccc4c3)cc2[O-])c[nH]1)C(C)C ZINC000653895762 562917400 /nfs/dbraw/zinc/91/74/00/562917400.db2.gz KJKGYZIRLQRCHG-IIFAZUGRSA-N -1 3 778.911 6.567 1 0 KKAFHM COc1ccc(C[C@]2(C)c3cc(Oc4cc(C[C@@H]5c6cc(OC)c(OC)cc6CCN5C)ccc4[O-])c(OC)cc3CC[C@H]2C)cc1 ZINC000085648347 565169501 /nfs/dbraw/zinc/16/95/01/565169501.db2.gz RZBRPBCSMGQTOK-PCCSJGSPSA-N -1 3 637.817 8.073 1 0 biogenic,in-vitro KKAFHM COc1ccc([C@H]2C(=O)c3ccc(OC)cc3O[C@@H]2[C@@H]2Oc3cc(OC)cc([O-])c3C(=O)[C@H]2c2ccc(O)cc2)cc1 ZINC000095910378 291980161 /nfs/dbraw/zinc/98/01/61/291980161.db2.gz XCWXPZXXHWLHDD-TYMAPWMDSA-N -1 3 568.578 5.279 1 0 biogenic,in-vitro KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCC ZINC000003806286 561682601 /nfs/dbraw/zinc/68/26/01/561682601.db2.gz TWOSZZZGHRJMJC-VXKWHMMOSA-N -1 3 532.634 6.126 1 0 investigational KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4C(c5ccc(C)cc5)=NO[C@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003843000 561684058 /nfs/dbraw/zinc/68/40/58/561684058.db2.gz ZLRHRSKKAAKFLO-LILWHGISSA-N -1 3 637.744 6.781 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3C[C@H]4C(c5ccc(C)cc5)=NO[C@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003843000 561684060 /nfs/dbraw/zinc/68/40/60/561684060.db2.gz ZLRHRSKKAAKFLO-LILWHGISSA-N -1 3 637.744 6.781 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003843007 561684129 /nfs/dbraw/zinc/68/41/29/561684129.db2.gz LOVJMLDFUPAOHC-MGBGTMOVSA-N -1 3 591.672 5.189 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003843007 561684130 /nfs/dbraw/zinc/68/41/30/561684130.db2.gz LOVJMLDFUPAOHC-MGBGTMOVSA-N -1 3 591.672 5.189 1 0 KKAFHM CCCCc1nc2cccc(C(=O)OCOC(=O)C(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003919203 561685543 /nfs/dbraw/zinc/68/55/43/561685543.db2.gz FYAJHCJKZQTYPE-UHFFFAOYSA-N -1 3 566.662 5.978 1 0 KKAFHM CCCCc1nc2cccc(C(=O)OCOC(=O)C(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003919203 561685544 /nfs/dbraw/zinc/68/55/44/561685544.db2.gz FYAJHCJKZQTYPE-UHFFFAOYSA-N -1 3 566.662 5.978 1 0 KKAFHM COc1ccc(-c2cnc(N3Cc4c([n-]c5ccccc5c4=O)[C@@H]3c3ccc4c(c3)CCO4)nc2)cc1OC ZINC000013491048 561716276 /nfs/dbraw/zinc/71/62/76/561716276.db2.gz ARUDTVSADAVYSN-LJAQVGFWSA-N -1 3 518.573 5.047 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CC(CCC)CCC ZINC000013780884 561729300 /nfs/dbraw/zinc/72/93/00/561729300.db2.gz GGXRDIRMSIBPGB-BEYSDYMESA-N -1 3 516.723 5.919 1 0 KKAFHM COc1ccc(CN(Cc2ccccc2)C(=O)c2ccccc2[O-])cc1COc1ccc(NC(C)=O)cc1 ZINC000013831416 561733427 /nfs/dbraw/zinc/73/34/27/561733427.db2.gz OVSMAQJZUGEZIH-UHFFFAOYSA-N -1 3 510.590 5.781 1 0 KKAFHM CCCc1nc(-n2cccc2)c(C=C(C)C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832379 561733563 /nfs/dbraw/zinc/73/35/63/561733563.db2.gz KCZALKGSFFKCKW-XUTLUUPISA-N -1 3 521.625 5.488 1 0 KKAFHM CCCc1nc(-n2cccc2)c(C=C(C)C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832379 561733564 /nfs/dbraw/zinc/73/35/64/561733564.db2.gz KCZALKGSFFKCKW-XUTLUUPISA-N -1 3 521.625 5.488 1 0 KKAFHM CCCCc1nnc([S@@](=O)Cc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014243904 561738502 /nfs/dbraw/zinc/73/85/02/561738502.db2.gz LURPQFIBDRQZSN-DIPNUNPCSA-N -1 3 532.073 5.477 1 0 KKAFHM CCCCc1nnc([S@@](=O)Cc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014243904 561738504 /nfs/dbraw/zinc/73/85/04/561738504.db2.gz LURPQFIBDRQZSN-DIPNUNPCSA-N -1 3 532.073 5.477 1 0 KKAFHM CC[C@H](Cc1ccccc1)c1cc([O-])c([C@H](c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)OC(C)(C)C)c2)C2CC2)c(=O)o1 ZINC000014943514 561741854 /nfs/dbraw/zinc/74/18/54/561741854.db2.gz ZNEZCXJJIUHKKH-KEFFAAFJSA-N -1 3 626.754 6.421 1 0 KKAFHM C[C@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000014973158 561751868 /nfs/dbraw/zinc/75/18/68/561751868.db2.gz VUJKAHHLCSGVDB-PZJWPPBQSA-N -1 3 548.721 5.163 1 0 KKAFHM CC[C@@H](c1ccc([O-])c(I)c1)[C@@H](CC)c1ccc(O)c(I)c1 ZINC000025963438 561762893 /nfs/dbraw/zinc/76/28/93/561762893.db2.gz JHLLTEJRPPJGGQ-KBPBESRZSA-N -1 3 522.164 5.994 1 0 KKAFHM CCCCc1cn(-c2c(CC)cccc2CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)nc1 ZINC000026000111 561765307 /nfs/dbraw/zinc/76/53/07/561765307.db2.gz HJBMREOPAOXTDB-UHFFFAOYSA-N -1 3 507.642 5.397 1 0 KKAFHM CCCCc1cn(-c2c(CC)cccc2CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)nc1 ZINC000026000111 561765308 /nfs/dbraw/zinc/76/53/08/561765308.db2.gz HJBMREOPAOXTDB-UHFFFAOYSA-N -1 3 507.642 5.397 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1ccccc1Br ZINC000026145568 561767147 /nfs/dbraw/zinc/76/71/47/561767147.db2.gz LVZUZOQDOBUGEF-UIOOFZCWSA-N -1 3 737.666 6.952 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccccc2-c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026293943 561781044 /nfs/dbraw/zinc/78/10/44/561781044.db2.gz TYTZWWYHRHCWBP-UHFFFAOYSA-N -1 3 582.708 7.317 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccccc2-c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026293943 561781045 /nfs/dbraw/zinc/78/10/45/561781045.db2.gz TYTZWWYHRHCWBP-UHFFFAOYSA-N -1 3 582.708 7.317 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026294864 561781120 /nfs/dbraw/zinc/78/11/20/561781120.db2.gz USLVIACTTHBFSC-UHFFFAOYSA-N -1 3 610.718 6.881 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026294864 561781122 /nfs/dbraw/zinc/78/11/22/561781122.db2.gz USLVIACTTHBFSC-UHFFFAOYSA-N -1 3 610.718 6.881 1 0 KKAFHM COc1cc2c(cc1OCCCCCC(=O)N1C[C@@H](C)c3c1cc([O-])c1ccccc31)N=C[C@@H]1CCCN1C2=O ZINC000026272916 561777535 /nfs/dbraw/zinc/77/75/35/561777535.db2.gz VJWQERHWYHWFFK-RTWAWAEBSA-N -1 3 541.648 5.964 1 0 KKAFHM CCCc1nc(-n2c(Cl)ccc2Cl)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026375615 561781779 /nfs/dbraw/zinc/78/17/79/561781779.db2.gz IZCXEFICNUTVQL-UHFFFAOYSA-N -1 3 550.450 6.005 1 0 KKAFHM CCCc1nc(-n2c(Cl)ccc2Cl)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026375615 561781781 /nfs/dbraw/zinc/78/17/81/561781781.db2.gz IZCXEFICNUTVQL-UHFFFAOYSA-N -1 3 550.450 6.005 1 0 KKAFHM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000026569015 561797621 /nfs/dbraw/zinc/79/76/21/561797621.db2.gz DNDNLFXKQSTINI-NSOVKSMOSA-N -1 3 584.721 5.965 1 0 KKAFHM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000026569015 561797622 /nfs/dbraw/zinc/79/76/22/561797622.db2.gz DNDNLFXKQSTINI-NSOVKSMOSA-N -1 3 584.721 5.965 1 0 KKAFHM CCCCc1nn(-c2ccccc2Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026575501 561799246 /nfs/dbraw/zinc/79/92/46/561799246.db2.gz FCLZPSNCFZACFI-UHFFFAOYSA-N -1 3 541.659 5.863 1 0 KKAFHM CCCCc1nn(-c2ccccc2Cc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026575501 561799248 /nfs/dbraw/zinc/79/92/48/561799248.db2.gz FCLZPSNCFZACFI-UHFFFAOYSA-N -1 3 541.659 5.863 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC3CCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579769 561805213 /nfs/dbraw/zinc/80/52/13/561805213.db2.gz GIQZFPOPSNSUBD-MGBGTMOVSA-N -1 3 627.749 6.511 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC3CCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579769 561805215 /nfs/dbraw/zinc/80/52/15/561805215.db2.gz GIQZFPOPSNSUBD-MGBGTMOVSA-N -1 3 627.749 6.511 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3Cl)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579945 561805327 /nfs/dbraw/zinc/80/53/27/561805327.db2.gz MEVQTBMBYQPKCM-HKBQPEDESA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccccc3Cl)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579945 561805328 /nfs/dbraw/zinc/80/53/28/561805328.db2.gz MEVQTBMBYQPKCM-HKBQPEDESA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026580305 561805744 /nfs/dbraw/zinc/80/57/44/561805744.db2.gz WUPHHUUGYFNJOV-HKBQPEDESA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC(C)C)c3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026580305 561805746 /nfs/dbraw/zinc/80/57/46/561805746.db2.gz WUPHHUUGYFNJOV-HKBQPEDESA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026580304 561805807 /nfs/dbraw/zinc/80/58/07/561805807.db2.gz WUPHHUUGYFNJOV-WJOKGBTCSA-N -1 3 636.156 6.630 1 0 KKAFHM CCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026580304 561805809 /nfs/dbraw/zinc/80/58/09/561805809.db2.gz WUPHHUUGYFNJOV-WJOKGBTCSA-N -1 3 636.156 6.630 1 0 KKAFHM COc1cc(OC)c2c([O-])c(-c3cc(-c4ccccc4)c4cc(OC)cc(OC)c4c3O)cc(-c3ccccc3)c2c1 ZINC000026642705 561806989 /nfs/dbraw/zinc/80/69/89/561806989.db2.gz PACXTSXSDCGLQG-UHFFFAOYSA-N -1 3 558.630 8.440 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026647596 561807785 /nfs/dbraw/zinc/80/77/85/561807785.db2.gz LMLVMTYTWJVESW-UMSFTDKQSA-N -1 3 619.729 6.908 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)c3ccccc3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026647596 561807787 /nfs/dbraw/zinc/80/77/87/561807787.db2.gz LMLVMTYTWJVESW-UMSFTDKQSA-N -1 3 619.729 6.908 1 0 KKAFHM CCCCc1nn(-c2cccc(Cl)c2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026664982 561810992 /nfs/dbraw/zinc/81/09/92/561810992.db2.gz YKLQGVQJYASHPG-UHFFFAOYSA-N -1 3 575.500 7.136 1 0 KKAFHM CCCCc1nn(-c2cccc(Cl)c2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026664982 561810993 /nfs/dbraw/zinc/81/09/93/561810993.db2.gz YKLQGVQJYASHPG-UHFFFAOYSA-N -1 3 575.500 7.136 1 0 KKAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccc(Oc3ccccc3)cc2)ccc1[O-] ZINC000026825247 561821838 /nfs/dbraw/zinc/82/18/38/561821838.db2.gz GRXKGMFBAMEGTB-WNJJXGMVSA-N -1 3 518.635 5.163 1 0 KKAFHM COc1ccccc1N1CCN(CCCC[C@@H](Oc2ccc(C(=O)Nc3ccccc3OCCCC(=O)[O-])cc2)c2ccccc2)CC1 ZINC000026745785 561818756 /nfs/dbraw/zinc/81/87/56/561818756.db2.gz RTNWLGSAMXEQOP-PGUFJCEWSA-N -1 3 651.804 7.304 1 0 KKAFHM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000026979944 561831251 /nfs/dbraw/zinc/83/12/51/561831251.db2.gz XUIJEMYAUJYNJA-ZJGIAAPESA-N -1 3 601.121 5.020 1 0 KKAFHM [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(Cc3ccc([O-])c(Cl)c3)c2)c(I)c1)C(=O)[O-] ZINC000026988355 561832324 /nfs/dbraw/zinc/83/23/24/561832324.db2.gz YUSKVECXLPOTLD-SFHVURJKSA-N -1 3 665.649 5.298 1 0 KKAFHM O=C([O-])C[C@@H]1c2ccccc2C(=O)N(CCNCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027517710 561861404 /nfs/dbraw/zinc/86/14/04/561861404.db2.gz HNZLLKISVUFRRU-GDLZYMKVSA-N -1 3 548.643 5.365 1 0 KKAFHM COc1c(C[S@](=O)c2nc3cscc3[n-]2)nccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000027520029 561863390 /nfs/dbraw/zinc/86/33/90/561863390.db2.gz BCSCZPFFPZCZII-PGUFJCEWSA-N -1 3 535.491 5.952 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1-c1ccc(CN2CCCCC[C@@H]2c2ccccc2)[nH]1 ZINC000027552346 561868356 /nfs/dbraw/zinc/86/83/56/561868356.db2.gz RUYAQBZRWRWQHR-GDLZYMKVSA-N -1 3 515.679 6.608 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C(C)(C)C)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718435 561880425 /nfs/dbraw/zinc/88/04/25/561880425.db2.gz HZDGIIPDZBKNTD-RTWAWAEBSA-N -1 3 532.634 6.124 1 0 KKAFHM CCCc1nc(CC)c(C(=O)O[C@H](C)OC(=O)OC(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027742639 561882575 /nfs/dbraw/zinc/88/25/75/561882575.db2.gz LOBUHYOMONDDEY-IBGZPJMESA-N -1 3 560.655 5.748 1 0 KKAFHM CCCc1nc(CC)c(C(=O)O[C@H](C)OC(=O)OC(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027742639 561882577 /nfs/dbraw/zinc/88/25/77/561882577.db2.gz LOBUHYOMONDDEY-IBGZPJMESA-N -1 3 560.655 5.748 1 0 KKAFHM O=c1c2c([n-]c3ccccc31)[C@H](c1ccc3c(c1)CCO3)N(c1ccc(-c3cncn3Cc3ccccc3)cn1)C2 ZINC000028103888 561902022 /nfs/dbraw/zinc/90/20/22/561902022.db2.gz YFJZTISMEVURGQ-XIFFEERXSA-N -1 3 537.623 5.879 1 0 KKAFHM C[C@]1(C2CCCC2)Cc2cc(OCCCCOc3ccc(-c4nnn[n-]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028343533 561914466 /nfs/dbraw/zinc/91/44/66/561914466.db2.gz FPPKJNIYDBNWAJ-AREMUKBSSA-N -1 3 515.441 6.347 1 0 KKAFHM C[C@]1(C2CCCC2)Cc2cc(OCCCCOc3ccc(-c4nn[n-]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028343533 561914467 /nfs/dbraw/zinc/91/44/67/561914467.db2.gz FPPKJNIYDBNWAJ-AREMUKBSSA-N -1 3 515.441 6.347 1 0 KKAFHM Cc1ccccc1C(=O)c1cnc(NCCC[N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000028462116 561925363 /nfs/dbraw/zinc/92/53/63/561925363.db2.gz WSZRBYPVRMTROP-UHFFFAOYSA-N -1 3 517.982 5.135 1 0 KKAFHM C[C@@H]1CN([C@H](c2ccc3c(c2)CN(CCC(=O)[O-])C3)c2cccc(F)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028569154 561937784 /nfs/dbraw/zinc/93/77/84/561937784.db2.gz IGUISFQCUGYRFS-UDKTZTBJSA-N -1 3 501.646 5.300 1 0 KKAFHM CCCCc1nc2ccc(N(C)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028758413 561957197 /nfs/dbraw/zinc/95/71/97/561957197.db2.gz UCZOYWFJUMVFHA-UHFFFAOYSA-N -1 3 565.678 5.863 1 0 KKAFHM CCCCc1nc2ccc(N(C)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028758413 561957199 /nfs/dbraw/zinc/95/71/99/561957199.db2.gz UCZOYWFJUMVFHA-UHFFFAOYSA-N -1 3 565.678 5.863 1 0 KKAFHM COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1[O-] ZINC000028881424 561976895 /nfs/dbraw/zinc/97/68/95/561976895.db2.gz SBJAEZCXJBPDAS-HXUWFJFHSA-N -1 3 535.150 5.764 1 0 KKAFHM CCCCNC(=O)CCCCCCCCCCOC[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([O-])cc1 ZINC000028886461 561977578 /nfs/dbraw/zinc/97/75/78/561977578.db2.gz NCIZEWOWAQRFJO-LJAQVGFWSA-N -1 3 522.730 6.403 1 0 KKAFHM CC(C)(C)OC(=O)N[C@@H](CCCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)[N-]C6=O)CCC5)cs1)C(=O)OC(C)(C)C ZINC000028897229 561979267 /nfs/dbraw/zinc/97/92/67/561979267.db2.gz OVGWBLILHSVMRH-QFIPXVFZSA-N -1 3 630.767 6.375 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)[O-])Cc2ccc(Oc3ccccc3)cc2)c1 ZINC000028949106 561980409 /nfs/dbraw/zinc/98/04/09/561980409.db2.gz LJZHNKCEYGGJMB-UHFFFAOYSA-N -1 3 548.639 7.151 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)[O-])Cc2cccc(Oc3ccccc3)c2)cc1 ZINC000028949144 561980497 /nfs/dbraw/zinc/98/04/97/561980497.db2.gz DTWOWMJMAWJRCE-UHFFFAOYSA-N -1 3 548.639 7.151 1 0 KKAFHM CN(C[C@H]1CCCN(C)C1)C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949704 561980771 /nfs/dbraw/zinc/98/07/71/561980771.db2.gz HNRSWIBLSLTBRF-QFIPXVFZSA-N -1 3 541.696 5.500 1 0 KKAFHM CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)C[C@@H]([N-]S(=O)(=O)c2ccc(-c4ccon4)s2)C3)cc2ccccc21 ZINC000028949638 561980821 /nfs/dbraw/zinc/98/08/21/561980821.db2.gz AOVLEUVYXSWIDO-QFIPXVFZSA-N -1 3 561.685 6.254 1 0 KKAFHM COc1cc(CN2CCCC2)cc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(=O)[O-])cc1 ZINC000029545701 562029737 /nfs/dbraw/zinc/02/97/37/562029737.db2.gz GBQPAVGINXEHKX-GVYVVWIYSA-N -1 3 704.673 5.629 1 0 KKAFHM CCCCc1nc2ccc([C@@H](OC)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222142 562051668 /nfs/dbraw/zinc/05/16/68/562051668.db2.gz AEFISCXKEDAXEG-YTTGMZPUSA-N -1 3 556.670 6.370 1 0 KKAFHM CCCCc1nc2ccc([C@@H](OC)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222142 562051669 /nfs/dbraw/zinc/05/16/69/562051669.db2.gz AEFISCXKEDAXEG-YTTGMZPUSA-N -1 3 556.670 6.370 1 0 KKAFHM COc1ccc2c(c1)[C@@H]1[C@H](CCN1CCN(C)C)Cn1c3cc(C(=O)[O-])ccc3c(C3CCCCC3)c1-2 ZINC000040410840 562075197 /nfs/dbraw/zinc/07/51/97/562075197.db2.gz VODSKNZEQBMLAF-MNNSJKJDSA-N -1 3 501.671 6.001 1 0 KKAFHM [O-]c1cc(Cl)ccc1Oc1ccc(Cl)cc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000040617236 562078574 /nfs/dbraw/zinc/07/85/74/562078574.db2.gz IGFMDPVCMXEVMZ-UHFFFAOYSA-N -1 3 519.472 7.399 1 0 KKAFHM COc1cc([O-])c([C@@H]2C[C@H](c3ccc(O)cc3)O[C@@H](CCc3ccc(O)cc3)C2)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 ZINC000059777574 560082153 /nfs/dbraw/zinc/08/21/53/560082153.db2.gz JHPJOKVLYIDVMB-IHXWFHKHSA-N -1 3 582.649 6.861 1 0 biogenic,in-vitro KKAFHM CC(=O)CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[n-]1)CCCC3=Cc1ccc(Cl)cc1 ZINC000044431226 562657779 /nfs/dbraw/zinc/65/77/79/562657779.db2.gz RZJVNCZSMYEVHM-AQTBWJFISA-N -1 3 522.457 6.850 1 0 KKAFHM O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045189322 562658374 /nfs/dbraw/zinc/65/83/74/562658374.db2.gz KOKDZGOZSFOYDQ-LVXARBLLSA-N -1 3 523.460 6.412 1 0 KKAFHM CCC[C@@H]([C@@H](CC1CCCCC1)C(=O)N[C@H](C(=O)Nc1nccs1)[C@@H](CC)c1ccccc1)N([O-])C=O ZINC000045195359 562658850 /nfs/dbraw/zinc/65/88/50/562658850.db2.gz NBZGVPFHHLUSOD-NDBXHCKUSA-N -1 3 528.719 5.363 1 0 KKAFHM O=C(CCCCCNC(=O)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1)N[C@H]1CCCc2ccccc21 ZINC000045302247 562660595 /nfs/dbraw/zinc/66/05/95/562660595.db2.gz XAMJVPHCAZUUGX-SANMLTNESA-N -1 3 525.476 6.850 1 0 KKAFHM CN1CCc2cc(Cl)c([O-])cc2[C@H]2c3cccc(NC(=O)Nc4c(Cl)cccc4Cl)c3CC[C@@H]21 ZINC000045389801 562662515 /nfs/dbraw/zinc/66/25/15/562662515.db2.gz SVNHWLZUROYKTP-LADGPHEKSA-N -1 3 516.856 6.931 1 0 KKAFHM COCCC[C@H](c1ccc(C(F)(F)F)nc1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045390335 562662523 /nfs/dbraw/zinc/66/25/23/562662523.db2.gz RZDNQINYABSKLH-HBGVWJBISA-N -1 3 518.498 6.515 1 0 KKAFHM CC[C@@H]([C@@H](Cc1cc2ccccc2s1)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccn1)N([O-])C=O ZINC000048307305 562662975 /nfs/dbraw/zinc/66/29/75/562662975.db2.gz BJNWXRCLIOZGTQ-ULNSLHSMSA-N -1 3 645.782 5.301 1 0 KKAFHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1cccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)c1 ZINC000049627014 562667478 /nfs/dbraw/zinc/66/74/78/562667478.db2.gz UTFHEEGUJDZKBH-UHFFFAOYSA-N -1 3 530.506 5.990 1 0 KKAFHM C[C@H](C(=O)[O-])c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000049695514 562670651 /nfs/dbraw/zinc/67/06/51/562670651.db2.gz AVNLUJALSLNPNX-DEOSSOPVSA-N -1 3 596.089 8.650 1 0 KKAFHM O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000049711022 562671937 /nfs/dbraw/zinc/67/19/37/562671937.db2.gz SVXDINNQDRRZOS-IBGZPJMESA-N -1 3 551.392 6.553 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2CCc2ccc(-c4ccccc4)cn2)N(Cc2ccc(Cl)cc2)[C@@H](CC(C)(C)Cc2nnn[n-]2)[C@H]3S1 ZINC000049745677 562674035 /nfs/dbraw/zinc/67/40/35/562674035.db2.gz IEFOGFDMVTYUGG-TXVZTLBDSA-N -1 3 635.281 8.467 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2CCc2ccc(-c4ccccc4)cn2)N(Cc2ccc(Cl)cc2)[C@@H](CC(C)(C)Cc2nn[n-]n2)[C@H]3S1 ZINC000049745677 562674036 /nfs/dbraw/zinc/67/40/36/562674036.db2.gz IEFOGFDMVTYUGG-TXVZTLBDSA-N -1 3 635.281 8.467 1 0 KKAFHM O=C(NCCc1cc(Br)c(Oc2cc(NC(=O)c3ccccc3)ccc2[O-])c(Br)c1)c1ccccc1 ZINC000049881820 562691152 /nfs/dbraw/zinc/69/11/52/562691152.db2.gz LSJISRYHABTLPE-UHFFFAOYSA-N -1 3 610.302 6.934 1 0 KKAFHM CCCCOP(=O)(OCCCC)C(=Cc1ccc([O-])c2ccccc12)P(=O)(OCCCC)OCCCC ZINC000049917913 562694146 /nfs/dbraw/zinc/69/41/46/562694146.db2.gz OVNALGRUOSMEKM-UHFFFAOYSA-N -1 3 554.601 9.497 1 0 KKAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000049952425 562695785 /nfs/dbraw/zinc/69/57/85/562695785.db2.gz KEINDQUFWZEEIT-JVCXMKTPSA-N -1 3 535.555 5.162 1 0 KKAFHM CCc1nn(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=NC(=O)c2ccccc2C(F)(F)F)s1 ZINC000049952425 562695786 /nfs/dbraw/zinc/69/57/86/562695786.db2.gz KEINDQUFWZEEIT-JVCXMKTPSA-N -1 3 535.555 5.162 1 0 KKAFHM COC(=O)/C(C)=C\C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C[C@H]4C(=O)c5c([O-])c6c(c(CC=C(C)C)c5O[C@@]341)OC(C)(C)C=C6)C2=O ZINC000059085732 562701709 /nfs/dbraw/zinc/70/17/09/562701709.db2.gz JTEQWNATEJGXHW-NGQOHASXSA-N -1 3 576.686 5.681 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(F)c(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326901 562702694 /nfs/dbraw/zinc/70/26/94/562702694.db2.gz CCIUYVYJAAKTQZ-GFCCVEGCSA-N -1 3 547.933 5.490 1 0 KKAFHM Cc1ccc(CCc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000060328408 562702805 /nfs/dbraw/zinc/70/28/05/562702805.db2.gz IAESPAJDWLVCFY-KRWDZBQOSA-N -1 3 537.579 5.125 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1-c1ccc(F)c(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060329084 562702851 /nfs/dbraw/zinc/70/28/51/562702851.db2.gz IBNUVEXOOFRISE-ZDUSSCGKSA-N -1 3 546.945 6.095 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1-c1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328845 562702861 /nfs/dbraw/zinc/70/28/61/562702861.db2.gz YJDKAHLIBWOLRQ-QGZVFWFLSA-N -1 3 550.618 6.600 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1-c1ccc(F)c(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060329085 562702872 /nfs/dbraw/zinc/70/28/72/562702872.db2.gz IBNUVEXOOFRISE-CYBMUJFWSA-N -1 3 546.945 6.095 1 0 KKAFHM CCCC(CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060329091 562702877 /nfs/dbraw/zinc/70/28/77/562702877.db2.gz LTKJXVCSBXHSNS-OAHLLOKOSA-N -1 3 533.588 5.379 1 0 KKAFHM Cc1cc(C(F)(F)F)nc(N2CCC(Cc3ccccc3)CC2)c1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060329347 562702893 /nfs/dbraw/zinc/70/28/93/562702893.db2.gz BTHOPMBHGBPNCU-HXUWFJFHSA-N -1 3 606.686 5.798 1 0 KKAFHM COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1[O-] ZINC000064453620 562705644 /nfs/dbraw/zinc/70/56/44/562705644.db2.gz LJZDTCSBJNWERC-HXUWFJFHSA-N -1 3 595.518 5.410 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000066136637 562713271 /nfs/dbraw/zinc/71/32/71/562713271.db2.gz ILXAKKDOMJRPPA-BIALHBOASA-N -1 3 624.562 5.285 3 0 KKAFHM CC(=O)Nc1nc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(C(F)(F)F)cc4)c3)cc2s1 ZINC000071317943 562718341 /nfs/dbraw/zinc/71/83/41/562718341.db2.gz AIYCRHJZMXDRDI-UHFFFAOYSA-N -1 3 526.949 5.790 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC2CCCCC2)OCCCC[C@@H](C)O3)cc1 ZINC000072121476 562724284 /nfs/dbraw/zinc/72/42/84/562724284.db2.gz QTRNZYSZUKRFTC-MRHQGJBWSA-N -1 3 686.916 5.565 3 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000072136698 562728096 /nfs/dbraw/zinc/72/80/96/562728096.db2.gz KBXMRUCREHCPDM-GLBCCIBASA-N -1 3 672.288 6.068 3 0 KKAFHM O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1)OCC1c2ccccc2-c2ccccc21 ZINC000072147789 562729879 /nfs/dbraw/zinc/72/98/79/562729879.db2.gz FOZVDHPANKLQGI-UWXQCODUSA-N -1 3 660.774 7.554 1 0 KKAFHM Cc1c2cc(NC(=O)[C@]3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccccn4)c5C4CCCCC4)CCCNC3)ccc2sc1C(=O)[O-] ZINC000072187324 562733008 /nfs/dbraw/zinc/73/30/08/562733008.db2.gz NYRJGBSSTJUMME-QNGWXLTQSA-N -1 3 649.817 7.000 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC(C)C)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073139774 562733529 /nfs/dbraw/zinc/73/35/29/562733529.db2.gz AWDKTLMYWKHMKD-RPBOFIJWSA-N -1 3 556.515 6.912 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccsc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073140136 562733559 /nfs/dbraw/zinc/73/35/59/562733559.db2.gz ORQSRWQAMDJMDY-CLJLJLNGSA-N -1 3 596.561 7.518 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccccc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073156414 562733868 /nfs/dbraw/zinc/73/38/68/562733868.db2.gz BJRHXSDSVNQOPW-NSOVKSMOSA-N -1 3 590.532 7.456 1 0 KKAFHM O=C(NCCN1CCCC1)c1cccc(Oc2ncc(Cl)cc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000073168063 562734705 /nfs/dbraw/zinc/73/47/05/562734705.db2.gz RXLINTREBYMMMC-UHFFFAOYSA-N -1 3 569.898 5.461 1 0 KKAFHM COc1cc(/C=C/c2cc3c(c(OC)c2)O[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C3)cc([O-])c1C/C=C(\C)CCC=C(C)C ZINC000082150201 562739809 /nfs/dbraw/zinc/73/98/09/562739809.db2.gz OZAZIYMXUXCEMU-MVQKBHOFSA-N -1 3 560.775 8.306 1 0 KKAFHM Cc1cn2c(-c3cnn(Cc4noc(-c5ccccc5)n4)c3)cnc2c([N-]c2cc(CN3CCCCC3)ns2)n1 ZINC000084634057 562745807 /nfs/dbraw/zinc/74/58/07/562745807.db2.gz GTOODCHETFUUMC-UHFFFAOYSA-N -1 3 552.668 5.186 1 0 KKAFHM CC[C@H](C)[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc2ccccc2c1 ZINC000084668799 562747786 /nfs/dbraw/zinc/74/77/86/562747786.db2.gz YLOAWTSSDGFRHS-ACXWPOHUSA-N -1 3 567.686 5.547 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)c(F)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688000 562749080 /nfs/dbraw/zinc/74/90/80/562749080.db2.gz WRYKQKGTDQVJIF-RTWAWAEBSA-N -1 3 521.372 6.122 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(OC)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688305 562749123 /nfs/dbraw/zinc/74/91/23/562749123.db2.gz SOCGYKSWZHVIGP-FGZHOGPDSA-N -1 3 515.418 5.853 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(OC)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688304 562749127 /nfs/dbraw/zinc/74/91/27/562749127.db2.gz SOCGYKSWZHVIGP-FCHUYYIVSA-N -1 3 515.418 5.853 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(OC)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688302 562749144 /nfs/dbraw/zinc/74/91/44/562749144.db2.gz SOCGYKSWZHVIGP-VXKWHMMOSA-N -1 3 515.418 5.853 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084708792 562750205 /nfs/dbraw/zinc/75/02/05/562750205.db2.gz LRUAJEDWTRTTKM-UHFFFAOYSA-N -1 3 555.686 6.165 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084708792 562750206 /nfs/dbraw/zinc/75/02/06/562750206.db2.gz LRUAJEDWTRTTKM-UHFFFAOYSA-N -1 3 555.686 6.165 1 0 KKAFHM COc1ccc(NC(=O)[N-]c2nc3nn(CCc4c(Br)cc(Br)cc4Br)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000095536809 562754187 /nfs/dbraw/zinc/75/41/87/562754187.db2.gz BXTWOLBSTCDPCZ-UHFFFAOYSA-N -1 3 731.203 6.917 1 0 KKAFHM Cc1c(C(=O)NCCCN2CCN(C)CC2)c(-c2cccc(N3CCN(c4ccc([N-]S(=O)(=O)c5cccc(Cl)c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C ZINC000095555918 562761673 /nfs/dbraw/zinc/76/16/73/562761673.db2.gz RELNUIMSHHSYSY-UHFFFAOYSA-N -1 3 814.884 7.469 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560473 562763079 /nfs/dbraw/zinc/76/30/79/562763079.db2.gz DUXONYIBZGWJQJ-PPHZAIPVSA-N -1 3 516.003 8.035 1 0 KKAFHM CC(C)C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563561 562764038 /nfs/dbraw/zinc/76/40/38/562764038.db2.gz HSAYCIOPIGXEKQ-FQLXRVMXSA-N -1 3 527.602 8.301 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095567007 562765421 /nfs/dbraw/zinc/76/54/21/562765421.db2.gz MGXDQALVEHELJP-HNMNOHOESA-N -1 3 620.599 5.455 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(Oc3ccccc3)cc1)O2 ZINC000095567986 562766222 /nfs/dbraw/zinc/76/62/22/562766222.db2.gz MYYMGOYXUZYBJC-PYAKLNENSA-N -1 3 662.809 5.166 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568262 562766431 /nfs/dbraw/zinc/76/64/31/562766431.db2.gz ZMUNMDKTHUEIDP-AZAGJHQNSA-N -1 3 645.797 5.575 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568382 562766572 /nfs/dbraw/zinc/76/65/72/562766572.db2.gz DEMCBGNJFOTASI-IKDMDFKBSA-N -1 3 638.589 5.214 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095569133 562767156 /nfs/dbraw/zinc/76/71/56/562767156.db2.gz KMMQDOVCDINFEJ-KXLVQTRWSA-N -1 3 657.833 5.869 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095569278 562767338 /nfs/dbraw/zinc/76/73/38/562767338.db2.gz DUJVVSYLOOHDFD-XLCATFGMSA-N -1 3 643.806 5.515 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095569386 562767384 /nfs/dbraw/zinc/76/73/84/562767384.db2.gz YLCYRDPZGWCEPF-ACHOWJBZSA-N -1 3 631.770 5.646 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095569950 562767814 /nfs/dbraw/zinc/76/78/14/562767814.db2.gz JQXCVRFSCSGTFT-DGIFUFQNSA-N -1 3 634.626 5.384 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000095571091 562768811 /nfs/dbraw/zinc/76/88/11/562768811.db2.gz ATQDNBRWFQIESM-RNDKRWLGSA-N -1 3 647.769 5.771 1 0 KKAFHM Cc1cn([C@H]2CCCN([C@@H](CC(C)C)c3ccc(C(=O)[O-])c(Oc4cccc(Cl)c4)c3)C2)c(=O)[nH]c1=O ZINC000095572101 562769305 /nfs/dbraw/zinc/76/93/05/562769305.db2.gz DUMBOKZAFBZKLT-URXFXBBRSA-N -1 3 526.033 5.413 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1NC1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095574459 562769960 /nfs/dbraw/zinc/76/99/60/562769960.db2.gz NWWQXXBHOPDTHY-CSLYMUCUSA-N -1 3 530.588 5.022 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccc(C(F)(F)F)cn1 ZINC000095579229 562771496 /nfs/dbraw/zinc/77/14/96/562771496.db2.gz GSRAMYOHSOKYCJ-CXUHLZMHSA-N -1 3 673.736 6.847 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1cccc(N)n1 ZINC000095579924 562771708 /nfs/dbraw/zinc/77/17/08/562771708.db2.gz RBNDAQVVIUMJOT-SFQUDFHCSA-N -1 3 620.754 5.411 1 0 KKAFHM CCCCN(CCCC)c1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095580183 562771797 /nfs/dbraw/zinc/77/17/97/562771797.db2.gz AFQRVTFMZATDAB-QGZVFWFLSA-N -1 3 546.631 5.438 1 0 KKAFHM CCc1nc2ccn(Cc3ccccc3OC(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095585755 562773722 /nfs/dbraw/zinc/77/37/22/562773722.db2.gz HSLSRQGULQKHNQ-SANMLTNESA-N -1 3 597.601 6.090 1 0 KKAFHM CCc1nc2ccn(Cc3ccccc3OC(F)(F)F)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095585755 562773723 /nfs/dbraw/zinc/77/37/23/562773723.db2.gz HSLSRQGULQKHNQ-SANMLTNESA-N -1 3 597.601 6.090 1 0 KKAFHM O=c1oc2ccc(Br)cc2cc1-c1csc(N2N=C(c3ccc(Cl)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000095586060 562773842 /nfs/dbraw/zinc/77/38/42/562773842.db2.gz ILRDZHNXAYPEKI-OAQYLSRUSA-N -1 3 570.774 6.198 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095598787 562777564 /nfs/dbraw/zinc/77/75/64/562777564.db2.gz ZBBNPLMVFVREHD-FOWIORFYSA-N -1 3 719.867 6.742 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599323 562778028 /nfs/dbraw/zinc/77/80/28/562778028.db2.gz QVHOUQFQIBTSDR-VAQOQGKESA-N -1 3 719.898 5.051 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095599585 562778179 /nfs/dbraw/zinc/77/81/79/562778179.db2.gz ZBBNPLMVFVREHD-GTZOPPDQSA-N -1 3 719.867 6.742 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095600240 562778779 /nfs/dbraw/zinc/77/87/79/562778779.db2.gz BDNZOJPJXUEPBB-IHMCZWCLSA-N -1 3 662.731 5.128 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095600967 562779352 /nfs/dbraw/zinc/77/93/52/562779352.db2.gz KBXMRUCREHCPDM-ZUDLYUOYSA-N -1 3 672.288 6.068 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc4c(c2)OCO4)OCCCC[C@@H](C)O3)cc1 ZINC000095602071 562779891 /nfs/dbraw/zinc/77/98/91/562779891.db2.gz AXBDLHZRWNTTPP-IEPUYCOHSA-N -1 3 695.879 5.452 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604071 562780799 /nfs/dbraw/zinc/78/07/99/562780799.db2.gz XMCNJBIDJBGVOV-LFSBMLFJSA-N -1 3 716.297 5.797 1 0 KKAFHM COc1ccc([C@@]2(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(C(=O)[O-])cc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC ZINC000095608114 562783367 /nfs/dbraw/zinc/78/33/67/562783367.db2.gz SGSDMASCYPMWHE-GWHBCOKCSA-N -1 3 790.914 6.595 1 0 KKAFHM COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095751758 562788814 /nfs/dbraw/zinc/78/88/14/562788814.db2.gz URUYPBZFUNKRKA-FBIDWWCOSA-N -1 3 673.898 5.485 1 0 KKAFHM COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@H](C)O3)cc1 ZINC000095771409 562788958 /nfs/dbraw/zinc/78/89/58/562788958.db2.gz XHKHZLHSPYTKDF-PUNARZIMSA-N -1 3 690.838 5.965 1 0 KKAFHM COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095772841 562789012 /nfs/dbraw/zinc/78/90/12/562789012.db2.gz URUYPBZFUNKRKA-ZYMMPZCLSA-N -1 3 673.898 5.485 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095847012 562789535 /nfs/dbraw/zinc/78/95/35/562789535.db2.gz NLNOREAGNASAOL-PXFJVXAFSA-N -1 3 643.872 5.476 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095857344 562789671 /nfs/dbraw/zinc/78/96/71/562789671.db2.gz AYYGMCZSFFREOB-AWYDNWMNSA-N -1 3 659.805 5.640 1 0 KKAFHM COCCN1CC[C@@H](c2ccc3ncnc(Nc4cc(C(=O)Nc5cc(C(C)(C)C)cc([N-]S(C)(=O)=O)c5OC)ccc4C)c3n2)C1 ZINC000096175758 562792019 /nfs/dbraw/zinc/79/20/19/562792019.db2.gz KEQFQZOUNFMJHA-HSZRJFAPSA-N -1 3 661.829 5.442 1 0 KKAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4=CCN(C)CC4)nc32)c1 ZINC000096175745 562792026 /nfs/dbraw/zinc/79/20/26/562792026.db2.gz LOANICCBOIOMOJ-UHFFFAOYSA-N -1 3 629.787 5.726 1 0 KKAFHM CCc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096270903 562793459 /nfs/dbraw/zinc/79/34/59/562793459.db2.gz DVNKXNBNHDGUFN-INIZCTEOSA-N -1 3 553.578 5.172 1 0 KKAFHM CCC1CCC(Oc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000096270940 562793511 /nfs/dbraw/zinc/79/35/11/562793511.db2.gz FSVXKFSGIZNNHH-LYGPFTKASA-N -1 3 545.599 5.379 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270915 562793553 /nfs/dbraw/zinc/79/35/53/562793553.db2.gz RXHMBUWWKUMPRB-GHTZIAJQSA-N -1 3 646.704 5.589 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286054 562796014 /nfs/dbraw/zinc/79/60/14/562796014.db2.gz WYLWMOLQFFLSSD-INIZCTEOSA-N -1 3 555.619 5.366 1 0 KKAFHM COc1cc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)ccc1Oc1cc(C)ccc1[O-] ZINC000096909591 562799660 /nfs/dbraw/zinc/79/96/60/562799660.db2.gz PGYWNPFFRWTCDQ-BKMJKUGQSA-N -1 3 533.669 5.172 1 0 KKAFHM CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)N(c2ccc([O-])c(-c3cnn(C)c3)c2)C1=O ZINC000096922342 562801802 /nfs/dbraw/zinc/80/18/02/562801802.db2.gz ILDMFNVBRNLJDE-UHFFFAOYSA-N -1 3 521.499 6.536 1 0 KKAFHM Cc1ccc2nc(SCC(=O)[N-]N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)n(Cc3ccccc3)c(=O)c2c1 ZINC000098082597 562805326 /nfs/dbraw/zinc/80/53/26/562805326.db2.gz YPYBRTCARCRFNP-UHFFFAOYSA-N -1 3 622.317 5.786 1 0 KKAFHM CCCCc1nc2ccn(C(=O)C(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103197463 562815915 /nfs/dbraw/zinc/81/59/15/562815915.db2.gz FGWGRHGAVGEPLG-UHFFFAOYSA-N -1 3 509.614 5.122 1 0 KKAFHM CCCCc1nc2ccn(C(=O)C(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103197463 562815916 /nfs/dbraw/zinc/81/59/16/562815916.db2.gz FGWGRHGAVGEPLG-UHFFFAOYSA-N -1 3 509.614 5.122 1 0 KKAFHM CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2ccccc2[O-])s1 ZINC000169295774 562852416 /nfs/dbraw/zinc/85/24/16/562852416.db2.gz BOJXJAUATKURGA-HHNICDRHSA-N -1 3 525.490 5.970 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ncc32)[C@H]1c1cccc(Cl)c1F ZINC000103254051 562820596 /nfs/dbraw/zinc/82/05/96/562820596.db2.gz HHZBIQDQELBELB-FNQJWKMRSA-N -1 3 615.489 5.623 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)sc32)[C@@H]1c1cccc(Cl)c1F ZINC000103253994 562820628 /nfs/dbraw/zinc/82/06/28/562820628.db2.gz YXQHJKFKRZDXHV-RPMQLHGRSA-N -1 3 620.530 6.290 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3nc(Cl)ncc32)[C@H]1c1cccc(Cl)c1F ZINC000103254028 562820646 /nfs/dbraw/zinc/82/06/46/562820646.db2.gz JMUOXYBXFJQWPT-ROUDKJGJSA-N -1 3 616.477 5.018 1 0 KKAFHM O=S(=O)([N-]c1ncccn1)c1ccc(NCCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000103273167 562823093 /nfs/dbraw/zinc/82/30/93/562823093.db2.gz DWSXDZOAFHNRBY-GDLZYMKVSA-N -1 3 577.154 5.140 1 0 KKAFHM CC(=O)[N-]C1=NN(C(C)=O)C2(C[C@H](c3ccc(Cl)cc3)N(C(C)=O)[C@@H](c3ccc(Cl)cc3)C2)S1 ZINC000103280157 562823455 /nfs/dbraw/zinc/82/34/55/562823455.db2.gz PUVNQFBXLHHXSF-FGZHOGPDSA-N -1 3 519.454 5.117 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1cccc(CCN2CCCC2)c1)C1CC1 ZINC000114034851 562826933 /nfs/dbraw/zinc/82/69/33/562826933.db2.gz DVZXDVSCYLZEEK-UHFFFAOYSA-N -1 3 530.043 7.375 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1)C1CC1 ZINC000114037761 562827282 /nfs/dbraw/zinc/82/72/82/562827282.db2.gz KGJSFCMUCCJIAX-UHFFFAOYSA-N -1 3 517.992 5.541 1 0 KKAFHM CN1CCN(Cc2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5ccc([O-])c(Cl)c5)cc43)cc2)CC1 ZINC000114038874 562827300 /nfs/dbraw/zinc/82/73/00/562827300.db2.gz CMQGBAVFCYTHBI-UHFFFAOYSA-N -1 3 527.068 6.345 1 0 KKAFHM CC(C)C(=O)c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1 ZINC000114039015 562827370 /nfs/dbraw/zinc/82/73/70/562827370.db2.gz VMHPJKQELDQLOV-UHFFFAOYSA-N -1 3 520.008 5.787 1 0 KKAFHM CCOc1ccc(-c2ccc(F)cc2F)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c1 ZINC000114355100 562828099 /nfs/dbraw/zinc/82/80/99/562828099.db2.gz VSXCYVYLRZSJRO-UHFFFAOYSA-N -1 3 522.548 5.720 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1 ZINC000114360449 562828139 /nfs/dbraw/zinc/82/81/39/562828139.db2.gz JBIZPHVUBXOSID-UHFFFAOYSA-N -1 3 598.622 6.644 1 0 KKAFHM COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000114366611 562828178 /nfs/dbraw/zinc/82/81/78/562828178.db2.gz TZBKVYWYAVLDHH-YTTGMZPUSA-N -1 3 552.631 5.628 1 0 KKAFHM Clc1cccc(Cl)c1-c1noc(C2CC2)c1COc1ccc([C@@H]2C[C@H]2c2ccc(-c3nnn[n-]3)nc2)c(Cl)c1 ZINC000115373713 562828829 /nfs/dbraw/zinc/82/88/29/562828829.db2.gz LLAYWKQGNBCRJZ-OALUTQOASA-N -1 3 579.875 7.604 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)C2CCCC2)cc1F ZINC000138769780 562832129 /nfs/dbraw/zinc/83/21/29/562832129.db2.gz JTOJUEFEERFUIY-DEOSSOPVSA-N -1 3 587.705 6.626 1 0 KKAFHM CC[C@@](C)(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138707967 562832154 /nfs/dbraw/zinc/83/21/54/562832154.db2.gz BOPVIOXNICDDLE-XMMPIXPASA-N -1 3 561.667 6.020 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](c2ccc([N-]S(C)(=O)=O)c(F)c2)C2CCCC2)CC1 ZINC000138780539 562832202 /nfs/dbraw/zinc/83/22/02/562832202.db2.gz GTVYDJJNJYGPKF-DEOSSOPVSA-N -1 3 570.653 5.438 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc(F)cc2)cc1F ZINC000139912432 562832806 /nfs/dbraw/zinc/83/28/06/562832806.db2.gz MAXDKGSWEZICAO-VWLOTQADSA-N -1 3 613.674 6.623 1 0 KKAFHM COc1ccc(-c2nn(C(C)(C)C)cc2CN2CCC[C@]3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000144545706 562836407 /nfs/dbraw/zinc/83/64/07/562836407.db2.gz FCEQFHOHNCPYHD-SSEXGKCCSA-N -1 3 532.641 5.393 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])c(C(F)(F)F)c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000144534016 562836409 /nfs/dbraw/zinc/83/64/09/562836409.db2.gz ANIAJDYXEQJZPX-UHFFFAOYSA-N -1 3 616.608 6.999 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4F)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000144620716 562836496 /nfs/dbraw/zinc/83/64/96/562836496.db2.gz FOBKWUZUUKOGAT-UHFFFAOYSA-N -1 3 566.601 6.119 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145673351 562837487 /nfs/dbraw/zinc/83/74/87/562837487.db2.gz NMLISYJVQURJKO-ZDUSSCGKSA-N -1 3 529.943 5.351 1 0 KKAFHM Cc1cccc(N2CCN(c3cc(C(F)(F)F)ccc3CNC(=O)[C@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)c1 ZINC000145858761 562837656 /nfs/dbraw/zinc/83/76/56/562837656.db2.gz RRARRNONYCUSSU-HXUWFJFHSA-N -1 3 592.659 5.271 1 0 KKAFHM CCCN(CCC)c1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146586594 562838727 /nfs/dbraw/zinc/83/87/27/562838727.db2.gz LRTKEBWVNJMBDT-INIZCTEOSA-N -1 3 517.589 5.262 1 0 KKAFHM Cc1cc(-c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)ccc1F ZINC000146676069 562838787 /nfs/dbraw/zinc/83/87/87/562838787.db2.gz OUWDXFYSGLSYMW-AWEZNQCLSA-N -1 3 527.515 5.145 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4C)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000149802460 562842798 /nfs/dbraw/zinc/84/27/98/562842798.db2.gz NLRXQNXTAGHSRB-UHFFFAOYSA-N -1 3 562.638 6.288 1 0 KKAFHM Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4ccc5ccccc5c4[O-])S[C@@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150583430 562845668 /nfs/dbraw/zinc/84/56/68/562845668.db2.gz IYPDWGMLKGVZCL-CTHPAAIQSA-N -1 3 702.792 7.886 1 0 KKAFHM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1C[C@]34CCC[C@]3(CN(C)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165414772 562850237 /nfs/dbraw/zinc/85/02/37/562850237.db2.gz VALIENGUOYGZQE-BRXSWJRSSA-N -1 3 698.930 6.264 1 0 KKAFHM CCOC(=O)[C@@H]1[C@H](c2ccccc2Br)N(C)[C@@H](c2ccccc2Br)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000169304093 562853276 /nfs/dbraw/zinc/85/32/76/562853276.db2.gz FXIQVIUXZIBHOR-LCGRTSHQSA-N -1 3 669.819 6.191 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324704 562857413 /nfs/dbraw/zinc/85/74/13/562857413.db2.gz DHJODFDMXSLFFH-UHFFFAOYSA-N -1 3 543.631 5.303 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCCc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324704 562857414 /nfs/dbraw/zinc/85/74/14/562857414.db2.gz DHJODFDMXSLFFH-UHFFFAOYSA-N -1 3 543.631 5.303 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc4ccccc43)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324689 562857417 /nfs/dbraw/zinc/85/74/17/562857417.db2.gz GWBZWBDANMHUDE-UHFFFAOYSA-N -1 3 579.664 6.414 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc4ccccc43)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324689 562857418 /nfs/dbraw/zinc/85/74/18/562857418.db2.gz GWBZWBDANMHUDE-UHFFFAOYSA-N -1 3 579.664 6.414 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccc(Cl)cc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324711 562857427 /nfs/dbraw/zinc/85/74/27/562857427.db2.gz BWVZCTPCQOINGZ-UHFFFAOYSA-N -1 3 564.049 5.914 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccc(Cl)cc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324711 562857428 /nfs/dbraw/zinc/85/74/28/562857428.db2.gz BWVZCTPCQOINGZ-UHFFFAOYSA-N -1 3 564.049 5.914 1 0 KKAFHM CCOc1nc2cccc(NC(=O)Cc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324762 562857474 /nfs/dbraw/zinc/85/74/74/562857474.db2.gz ZEBBUVYVMXYITK-UHFFFAOYSA-N -1 3 529.604 5.512 1 0 KKAFHM CCOc1nc2cccc(NC(=O)Cc3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324762 562857475 /nfs/dbraw/zinc/85/74/75/562857475.db2.gz ZEBBUVYVMXYITK-UHFFFAOYSA-N -1 3 529.604 5.512 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccc4ccccc4c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324709 562857492 /nfs/dbraw/zinc/85/74/92/562857492.db2.gz RONSYECPCVFETQ-UHFFFAOYSA-N -1 3 579.664 6.414 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3ccc4ccccc4c3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324709 562857493 /nfs/dbraw/zinc/85/74/93/562857493.db2.gz RONSYECPCVFETQ-UHFFFAOYSA-N -1 3 579.664 6.414 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc(C)c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324716 562857495 /nfs/dbraw/zinc/85/74/95/562857495.db2.gz OCVFNFWPONZCLN-UHFFFAOYSA-N -1 3 543.631 5.569 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc(C)c3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324716 562857496 /nfs/dbraw/zinc/85/74/96/562857496.db2.gz OCVFNFWPONZCLN-UHFFFAOYSA-N -1 3 543.631 5.569 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2F)n1 ZINC000169694682 562865495 /nfs/dbraw/zinc/86/54/95/562865495.db2.gz PZDWVQBLCQRYSV-AWEZNQCLSA-N -1 3 668.073 6.180 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2F)n1 ZINC000169694682 562865496 /nfs/dbraw/zinc/86/54/96/562865496.db2.gz PZDWVQBLCQRYSV-AWEZNQCLSA-N -1 3 668.073 6.180 1 0 KKAFHM CC(C)CC(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1N1CCOCC1 ZINC000169696192 562865942 /nfs/dbraw/zinc/86/59/42/562865942.db2.gz IWRZFDVRNKFXFJ-RRPNLBNLSA-N -1 3 502.636 5.140 1 0 KKAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C4CCCC4)[C@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696492 562866108 /nfs/dbraw/zinc/86/61/08/562866108.db2.gz YMQRKYQPAORLQK-LOSJGSFVSA-N -1 3 501.583 5.112 1 0 KKAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C4CCCC4)[C@@H]3c3ccccc3OCC(C)C)cc2)no1 ZINC000169696489 562866120 /nfs/dbraw/zinc/86/61/20/562866120.db2.gz YMQRKYQPAORLQK-RPBOFIJWSA-N -1 3 501.583 5.112 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000169696703 562866240 /nfs/dbraw/zinc/86/62/40/562866240.db2.gz VNXPGDTVXDCEJC-AHWVRZQESA-N -1 3 517.651 5.145 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000169696767 562866356 /nfs/dbraw/zinc/86/63/56/562866356.db2.gz JTAPFYIQJGFBCZ-IZZNHLLZSA-N -1 3 500.620 5.349 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4cncc([O-])c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702634 562868456 /nfs/dbraw/zinc/86/84/56/562868456.db2.gz CSDQPSKKHPQCBH-UHFFFAOYSA-N -1 3 521.589 5.382 1 0 KKAFHM COc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000169702623 562868465 /nfs/dbraw/zinc/86/84/65/562868465.db2.gz NTKYXAOYAZFSTD-UHFFFAOYSA-N -1 3 538.604 5.238 1 0 KKAFHM CCOc1ccc(-c2cc(F)c(F)cc2F)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c1 ZINC000169702641 562868532 /nfs/dbraw/zinc/86/85/32/562868532.db2.gz XDNUSSMDDPERKV-UHFFFAOYSA-N -1 3 540.538 5.859 1 0 KKAFHM C/C=C\CCCCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000202206363 562873612 /nfs/dbraw/zinc/87/36/12/562873612.db2.gz YLJPQVAHNSNLOF-WAYWQWQTSA-N -1 3 593.765 7.987 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cc(C)cs3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202732112 562873793 /nfs/dbraw/zinc/87/37/93/562873793.db2.gz DKLHBHMQVGOHQW-RPBOFIJWSA-N -1 3 563.141 5.454 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cc(C)cs3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202732071 562873825 /nfs/dbraw/zinc/87/38/25/562873825.db2.gz DKLHBHMQVGOHQW-LOSJGSFVSA-N -1 3 563.141 5.454 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1cccc(CCN2CCCC2)c1)C1CCCC1 ZINC000203987031 562874309 /nfs/dbraw/zinc/87/43/09/562874309.db2.gz KODOCOMPLGFCAI-UHFFFAOYSA-N -1 3 574.552 8.669 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](c2ccc([N-]S(C)(=O)=O)c(F)c2)C2CCCCC2)CC1 ZINC000204119008 562874329 /nfs/dbraw/zinc/87/43/29/562874329.db2.gz XQGRBLSMXCQIMI-RUZDIDTESA-N -1 3 584.680 5.828 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(N4CCC(N5CCN(C)CC5)CC4)c3c2)cc(Cl)c1[O-] ZINC000215726746 562877434 /nfs/dbraw/zinc/87/74/34/562877434.db2.gz XGXVGFZTWNLTLI-UHFFFAOYSA-N -1 3 535.088 5.078 1 0 KKAFHM O=C(c1cnc2ccc(-c3ccc([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)nc1)C1CC1 ZINC000219859789 562878302 /nfs/dbraw/zinc/87/83/02/562878302.db2.gz IFGHBOINVBTUBN-UHFFFAOYSA-N -1 3 500.002 5.402 1 0 KKAFHM CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1ccc(F)cc1)cc(F)c2[O-] ZINC000220383494 562878447 /nfs/dbraw/zinc/87/84/47/562878447.db2.gz BENMEJNWNXDMOH-UHFFFAOYSA-N -1 3 569.530 8.309 1 0 KKAFHM CC(C)(O)c1ccnc(-c2cccc3cc([C@H]([N-]S(=O)(=O)C4CC4)c4nc(N)c(F)cc4Cl)sc32)c1 ZINC000224204429 562880398 /nfs/dbraw/zinc/88/03/98/562880398.db2.gz QNKGCEXCZJKHPH-QFIPXVFZSA-N -1 3 547.077 5.132 1 0 KKAFHM C[C@@H](c1ccc(C(C)(C)C)nc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(CCCC4CCCC4)cc3F)ccc2C1 ZINC000224834400 562880560 /nfs/dbraw/zinc/88/05/60/562880560.db2.gz DUVASYYCXRCGHW-DEOSSOPVSA-N -1 3 577.810 7.951 1 0 KKAFHM CCCCN(CCCC)C(=O)[C@H](C)N1C[C@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000253633447 562882084 /nfs/dbraw/zinc/88/20/84/562882084.db2.gz MUDAUNJNTOHWSU-VYLXUYPLSA-N -1 3 524.658 5.083 1 0 KKAFHM CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)[N-]c1cc(C)no1 ZINC000253637677 562882405 /nfs/dbraw/zinc/88/24/05/562882405.db2.gz CGLDQNAZWLLHQY-HOFKKMOUSA-N -1 3 600.945 5.324 1 0 KKAFHM CO[N-]C(=O)[C@H](Cc1cnc(C2CCCCC2)[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)OC(C)(C)C ZINC000299833879 562886297 /nfs/dbraw/zinc/88/62/97/562886297.db2.gz AJDQNFIFEWLUPF-AFEGWXKPSA-N -1 3 771.964 5.278 1 0 KKAFHM CO[N-]C(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc(C2CCCCC2)[nH]1)NC(=O)OC(C)(C)C ZINC000299833879 562886298 /nfs/dbraw/zinc/88/62/98/562886298.db2.gz AJDQNFIFEWLUPF-AFEGWXKPSA-N -1 3 771.964 5.278 1 0 KKAFHM CC[C@H]1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000299833956 562886356 /nfs/dbraw/zinc/88/63/56/562886356.db2.gz PWFPKEHFLZSCDG-CVEARBPZSA-N -1 3 527.584 5.624 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=CC[C@@H](C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834023 562886396 /nfs/dbraw/zinc/88/63/96/562886396.db2.gz QSGHXDMUWYXAEN-CABCVRRESA-N -1 3 513.557 5.234 1 0 KKAFHM CCC1CCC(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000299834048 562886401 /nfs/dbraw/zinc/88/64/01/562886401.db2.gz RCMWQGKXOQCPHM-KLAILNCOSA-N -1 3 529.600 5.715 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1SCc1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473153309 562901953 /nfs/dbraw/zinc/90/19/53/562901953.db2.gz ADRFTGFMFLEDRL-OAHLLOKOSA-N -1 3 575.049 6.582 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1OCc1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473155089 562902391 /nfs/dbraw/zinc/90/23/91/562902391.db2.gz PASMYBFQAZZAIR-HNNXBMFYSA-N -1 3 542.526 5.354 1 0 KKAFHM O=C(CCc1ccccc1)c1c(O)cc([O-])c2c1O[C@@H](c1ccc(O)cc1)[C@H](C/C=C/c1ccc(O)cc1)C2 ZINC000473169985 562903165 /nfs/dbraw/zinc/90/31/65/562903165.db2.gz PFBWKZPTSBKMPB-YBDKQYTNSA-N -1 3 522.597 6.720 1 0 KKAFHM O=C(NCCCOc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[O-])c1cc2ccccc2cc1OCCCO ZINC000473172569 562903307 /nfs/dbraw/zinc/90/33/07/562903307.db2.gz XTYVVDYZAPQKRU-UHFFFAOYSA-N -1 3 599.083 6.564 1 0 KKAFHM C[C@H](c1ccc(Cl)c(F)c1)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(F)c1)C[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000473244479 562904837 /nfs/dbraw/zinc/90/48/37/562904837.db2.gz MJFAMCDWEPSBQU-SFHLNBCPSA-N -1 3 563.041 5.600 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653694200 562906955 /nfs/dbraw/zinc/90/69/55/562906955.db2.gz LKIJLVUHYVZITR-IBGZPJMESA-N -1 3 682.693 5.566 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653700681 562907340 /nfs/dbraw/zinc/90/73/40/562907340.db2.gz BIRSOAKKFQXHLX-IBGZPJMESA-N -1 3 682.693 5.566 1 0 KKAFHM Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(C(=O)N(C)Cc3ccc4nccnc4c3)cc2)c([O-])cc1O ZINC000653758354 562911165 /nfs/dbraw/zinc/91/11/65/562911165.db2.gz YZZSZNYNWZBIOJ-UHFFFAOYSA-N -1 3 532.600 5.469 1 0 KKAFHM [O-]c1ccc(-c2cc3cc(I)cc(I)c3o2)c2cccnc12 ZINC000653760688 562911277 /nfs/dbraw/zinc/91/12/77/562911277.db2.gz PDJHSJJCGZVYGQ-UHFFFAOYSA-N -1 3 513.072 5.563 1 0 KKAFHM COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccsc3)C(=O)c3cc(C)c(O)cc3[O-])cc2)cc1 ZINC000653769234 562911783 /nfs/dbraw/zinc/91/17/83/562911783.db2.gz QNOXUVONQQBEAY-UHFFFAOYSA-N -1 3 516.619 5.596 1 0 KKAFHM Cc1cc2ccc(F)cc2nc1-c1ccc(N(Cc2cccc(CN3CCOCC3)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653773164 562911834 /nfs/dbraw/zinc/91/18/34/562911834.db2.gz CWJRLWWUGZRACE-UHFFFAOYSA-N -1 3 577.656 6.440 1 0 KKAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@@H](O)CSc4ncn(Cc5ccc(Cl)cc5Cl)n4)C3)c(F)cc2c1=O ZINC000653782556 562912218 /nfs/dbraw/zinc/91/22/18/562912218.db2.gz DKZOSCSWYWCMRH-IEBWSBKVSA-N -1 3 682.005 5.095 1 0 KKAFHM CCCC(CCC)Oc1c(Br)cc(-c2ccccc2-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1F ZINC000653803736 562913569 /nfs/dbraw/zinc/91/35/69/562913569.db2.gz RCDIDCDPBBVKLP-UHFFFAOYSA-N -1 3 567.463 7.427 1 0 KKAFHM CCCC(CCC)Oc1c(Br)cc(-c2ccccc2-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1F ZINC000653803736 562913570 /nfs/dbraw/zinc/91/35/70/562913570.db2.gz RCDIDCDPBBVKLP-UHFFFAOYSA-N -1 3 567.463 7.427 1 0 KKAFHM COc1c(OCCCO)c(CCc2cccc3c4cc[nH]c4ccc23)c2oc(-c3ccc([O-])cc3)cc(=O)c2c1OCCCO ZINC000103533148 565194665 /nfs/dbraw/zinc/19/46/65/565194665.db2.gz OEAZWDKYMRFDNJ-UHFFFAOYSA-N -1 3 608.667 5.902 1 0 biogenic,in-vitro KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@]1(C)CC(C)=C[C@H]2c4c(C)c5c(cc4O[C@](O)([C@@H]3O)[C@H]21)oc1cc(C)cc(O)c15 ZINC000100772783 571816272 /nfs/dbraw/zinc/81/62/72/571816272.db2.gz JCRLYBYVQJKZSH-SZFMDPMDSA-N -1 3 538.596 6.804 1 0 endogenous,in-man KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@]1(C)CC(C)=C[C@H]2c4c(C)c5c(cc4O[C@](O)(C3=O)[C@H]21)oc1cc(C)cc(O)c15 ZINC000100772793 571816503 /nfs/dbraw/zinc/81/65/03/571816503.db2.gz QPGYUCLUVQROTF-ATVGBTSUSA-N -1 3 536.580 6.954 1 0 endogenous,in-man KKAFHM CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001533918 561676613 /nfs/dbraw/zinc/67/66/13/561676613.db2.gz XUXPOYGCLABTCS-UHFFFAOYSA-N -1 3 550.667 5.507 1 0 in-vivo KKAFHM CCCCc1nc2ccc(NC(=O)N(C)C(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001533918 561676614 /nfs/dbraw/zinc/67/66/14/561676614.db2.gz XUXPOYGCLABTCS-UHFFFAOYSA-N -1 3 550.667 5.507 1 0 in-vivo KKAFHM CCCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000002004078 561680339 /nfs/dbraw/zinc/68/03/39/561680339.db2.gz SFEAZLPYCTUTIE-UHFFFAOYSA-N -1 3 548.072 5.143 1 0 KKAFHM CCCCc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000002004078 561680340 /nfs/dbraw/zinc/68/03/40/561680340.db2.gz SFEAZLPYCTUTIE-UHFFFAOYSA-N -1 3 548.072 5.143 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003843005 561684122 /nfs/dbraw/zinc/68/41/22/561684122.db2.gz NWZKTKOLUPTTPG-MUUNZHRXSA-N -1 3 577.645 5.015 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003843005 561684124 /nfs/dbraw/zinc/68/41/24/561684124.db2.gz NWZKTKOLUPTTPG-MUUNZHRXSA-N -1 3 577.645 5.015 1 0 KKAFHM COc1c2occc2c(OC)c(C(=O)C[C@H]2c3c(cc4oc(C)cc(=O)c4c3OC)OC(=N)[C@@H]2c2nc3ccccc3[nH]2)c1[O-] ZINC000005543952 561696463 /nfs/dbraw/zinc/69/64/63/561696463.db2.gz RFQPFMXLAHEOKE-UPCLLVRISA-N -1 3 609.591 5.965 1 0 KKAFHM COc1cc([C@@H](C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CCCCC(=O)[O-])C1)C(C)(C)O2 ZINC000013455702 561713579 /nfs/dbraw/zinc/71/35/79/561713579.db2.gz UBOQJBBPZXYJQV-NRFANRHFSA-N -1 3 509.662 6.846 1 0 KKAFHM O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000008594083 561706082 /nfs/dbraw/zinc/70/60/82/561706082.db2.gz QNLJFIOVBJLWKL-INIZCTEOSA-N -1 3 567.836 5.711 1 0 KKAFHM CCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013732075 561725252 /nfs/dbraw/zinc/72/52/52/561725252.db2.gz CFMSUUJPNFRBBQ-UHFFFAOYSA-N -1 3 524.632 6.438 1 0 KKAFHM CCCc1nc2ccc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013732075 561725254 /nfs/dbraw/zinc/72/52/54/561725254.db2.gz CFMSUUJPNFRBBQ-UHFFFAOYSA-N -1 3 524.632 6.438 1 0 KKAFHM O=C(Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000013804859 561731372 /nfs/dbraw/zinc/73/13/72/561731372.db2.gz VRNGVHXOTQCSCX-UHFFFAOYSA-N -1 3 500.562 5.006 1 0 KKAFHM O=C(Cc1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000013804859 561731373 /nfs/dbraw/zinc/73/13/73/561731373.db2.gz VRNGVHXOTQCSCX-UHFFFAOYSA-N -1 3 500.562 5.006 1 0 KKAFHM CCCCC1=NC2(CCN(Cc3ccccc3)CC2)C(=O)N1Cc1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000013833582 561733869 /nfs/dbraw/zinc/73/38/69/561733869.db2.gz UURQJIXVTBCUTF-UHFFFAOYSA-N -1 3 509.650 6.018 1 0 KKAFHM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nnn[n-]2)c3S1 ZINC000014263106 561738750 /nfs/dbraw/zinc/73/87/50/561738750.db2.gz ZXTQNTHPGKKAHX-QHCPKHFHSA-N -1 3 635.237 8.345 1 0 KKAFHM C[C@H]1Cc2c3c(ccc2OCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nn[n-]n2)c3S1 ZINC000014263106 561738751 /nfs/dbraw/zinc/73/87/51/561738751.db2.gz ZXTQNTHPGKKAHX-QHCPKHFHSA-N -1 3 635.237 8.345 1 0 KKAFHM O=C1OC(c2ccc([O-])c(Br)c2)(c2ccc(O)c(Br)c2)c2cccc3cccc1c32 ZINC000014968894 561750471 /nfs/dbraw/zinc/75/04/71/561750471.db2.gz HAECZDPLSOAVNF-UHFFFAOYSA-N -1 3 526.180 6.238 1 0 KKAFHM C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2cccc(Cl)c2o1 ZINC000014971622 561751273 /nfs/dbraw/zinc/75/12/73/561751273.db2.gz SHLWXCGNHANUPZ-UUOWRZLLSA-N -1 3 527.084 6.674 1 0 KKAFHM C[C@@H](C(=O)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000014973147 561751881 /nfs/dbraw/zinc/75/18/81/561751881.db2.gz VUJKAHHLCSGVDB-CTNGQTDRSA-N -1 3 548.721 5.163 1 0 KKAFHM CCCCc1cn(-c2ccccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)nc1 ZINC000026001916 561765407 /nfs/dbraw/zinc/76/54/07/561765407.db2.gz WLBSKJWOURGATN-UHFFFAOYSA-N -1 3 507.642 5.570 1 0 KKAFHM CCCCc1cn(-c2ccccc2C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)nc1 ZINC000026001916 561765408 /nfs/dbraw/zinc/76/54/08/561765408.db2.gz WLBSKJWOURGATN-UHFFFAOYSA-N -1 3 507.642 5.570 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccccc1Br ZINC000026146902 561767304 /nfs/dbraw/zinc/76/73/04/561767304.db2.gz ADGAICNUKKFKGZ-UIOOFZCWSA-N -1 3 705.668 8.271 1 0 KKAFHM CCOCCO[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1C(=O)O[C@@H](O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C1=C([O-])c1ccc2c(c1OC)OCO2 ZINC000026250851 561774146 /nfs/dbraw/zinc/77/41/46/561774146.db2.gz ZGTFYUUHNMVNKA-FEMYRPFKSA-N -1 3 686.795 6.020 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(OC)cc1 ZINC000026156775 561768263 /nfs/dbraw/zinc/76/82/63/561768263.db2.gz BLBBNYMZJGQSAQ-NSOVKSMOSA-N -1 3 656.798 7.517 1 0 KKAFHM CCCc1nc(-n2cccc2C(=O)C(F)(F)F)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026379528 561783154 /nfs/dbraw/zinc/78/31/54/561783154.db2.gz KEIFRWJFHHZHRD-UHFFFAOYSA-N -1 3 563.540 5.053 1 0 KKAFHM CCCc1nc(-n2cccc2C(=O)C(F)(F)F)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026379528 561783156 /nfs/dbraw/zinc/78/31/56/561783156.db2.gz KEIFRWJFHHZHRD-UHFFFAOYSA-N -1 3 563.540 5.053 1 0 KKAFHM O=CN([O-])[C@@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(C(F)(F)F)cc1 ZINC000026387865 561784914 /nfs/dbraw/zinc/78/49/14/561784914.db2.gz ANRXCWSBJHOAED-NRFANRHFSA-N -1 3 549.445 5.759 1 0 KKAFHM COc1cc(OC)c2c([O-])c(-c3cc(-c4cccs4)c4cc(OC)cc(OC)c4c3O)cc(-c3cccs3)c2c1 ZINC000026651822 561808615 /nfs/dbraw/zinc/80/86/15/561808615.db2.gz NYUOHGVPEPAUEC-UHFFFAOYSA-N -1 3 570.688 8.563 1 0 KKAFHM CCCc1nc2ccc(N(C)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026944551 561828349 /nfs/dbraw/zinc/82/83/49/561828349.db2.gz SOMSKQMSQIYKHK-UHFFFAOYSA-N -1 3 551.651 5.473 1 0 KKAFHM CCCc1nc2ccc(N(C)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026944551 561828350 /nfs/dbraw/zinc/82/83/50/561828350.db2.gz SOMSKQMSQIYKHK-UHFFFAOYSA-N -1 3 551.651 5.473 1 0 KKAFHM CCCCc1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027180819 561841721 /nfs/dbraw/zinc/84/17/21/561841721.db2.gz VJVIWVXXDQBLLA-UHFFFAOYSA-N -1 3 536.636 5.838 1 0 KKAFHM CCCCc1nn(-c2ccc(OC)cc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027180819 561841723 /nfs/dbraw/zinc/84/17/23/561841723.db2.gz VJVIWVXXDQBLLA-UHFFFAOYSA-N -1 3 536.636 5.838 1 0 KKAFHM O=C(Cc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1)C1c2cccc([O-])c2C(=O)c2c(O)cccc21 ZINC000027407875 561855868 /nfs/dbraw/zinc/85/58/68/561855868.db2.gz QAGVNQGFUPSMHA-UHFFFAOYSA-N -1 3 662.738 8.323 1 0 KKAFHM FC(F)(F)c1cc(COC[C@H](c2ccccc2)N2CCN(CCCCc3nnn[n-]3)CC2)cc(C(F)(F)F)c1 ZINC000027517444 561861192 /nfs/dbraw/zinc/86/11/92/561861192.db2.gz VLROGTSVMJUONC-HSZRJFAPSA-N -1 3 556.555 5.136 1 0 KKAFHM O=C([O-])CCCCN1CCN([C@@H](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000027518216 561862038 /nfs/dbraw/zinc/86/20/38/561862038.db2.gz SVVJEDRBKOBRPP-QHCPKHFHSA-N -1 3 532.525 5.855 1 0 KKAFHM CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027655736 561877452 /nfs/dbraw/zinc/87/74/52/561877452.db2.gz VRNXVYDGGXOELT-UHFFFAOYSA-N -1 3 539.665 5.595 1 0 KKAFHM CCCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027655736 561877453 /nfs/dbraw/zinc/87/74/53/561877453.db2.gz VRNXVYDGGXOELT-UHFFFAOYSA-N -1 3 539.665 5.595 1 0 KKAFHM CCCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027657749 561878182 /nfs/dbraw/zinc/87/81/82/561878182.db2.gz SYNROGAWDRKZBR-UHFFFAOYSA-N -1 3 530.101 6.852 1 0 KKAFHM CCCCCc1nnc(SCc2ccc(Cl)cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027657749 561878183 /nfs/dbraw/zinc/87/81/83/561878183.db2.gz SYNROGAWDRKZBR-UHFFFAOYSA-N -1 3 530.101 6.852 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])C(C)C)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027718261 561880418 /nfs/dbraw/zinc/88/04/18/561880418.db2.gz RQHFYLDVMMJFGB-LEWJYISDSA-N -1 3 518.607 5.734 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])Cc2ccccc2)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027719937 561880496 /nfs/dbraw/zinc/88/04/96/561880496.db2.gz GODQIDMDYBTWQN-RPBOFIJWSA-N -1 3 566.651 6.526 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])CC)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027730166 561881275 /nfs/dbraw/zinc/88/12/75/561881275.db2.gz YLGWSTZEZPRBPW-VQTJNVASSA-N -1 3 504.580 5.346 1 0 KKAFHM COc1cc([O-])c2c(cc3c(c2OC)C(=O)[C@@H](C)[C@H](C)O3)c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1 ZINC000027856649 561886620 /nfs/dbraw/zinc/88/66/20/561886620.db2.gz AVVKNYGJSXHIKG-LUKYLMHMSA-N -1 3 616.663 6.608 1 0 KKAFHM O=C(c1ccccc1)c1ccc2c(c1[O-])N[C@@H](c1ccccc1)[C@H](NCC(c1ccccc1)c1ccccc1)O2 ZINC000028113328 561903379 /nfs/dbraw/zinc/90/33/79/561903379.db2.gz IMGVLHPPOZVQNA-MFACQUFMSA-N -1 3 526.636 6.917 1 0 KKAFHM O=C([O-])[C@@H](CC1CC1)[N@@H+]1C[C@H](CN2CCC(CC[C@H](C(=O)[O-])c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236155 561909706 /nfs/dbraw/zinc/90/97/06/561909706.db2.gz ADFRLQLNMJKEBV-CNTBMXMRSA-N -1 3 554.678 5.594 1 0 KKAFHM O=C([O-])[C@@H](CC1CC1)[N@H+]1C[C@H](CN2CCC(CC[C@H](C(=O)[O-])c3ccc(F)cc3)CC2)[C@@H](c2cccc(F)c2)C1 ZINC000028236155 561909708 /nfs/dbraw/zinc/90/97/08/561909708.db2.gz ADFRLQLNMJKEBV-CNTBMXMRSA-N -1 3 554.678 5.594 1 0 KKAFHM O=C(CN1CCCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028392322 561922521 /nfs/dbraw/zinc/92/25/21/561922521.db2.gz FNROZGBVSSYDDU-UHFFFAOYSA-N -1 3 574.024 6.758 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2c(C)ccc(CO[N+](=O)[O-])c2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028571691 561939524 /nfs/dbraw/zinc/93/95/24/561939524.db2.gz DTNABQCZGLHXTC-UHFFFAOYSA-N -1 3 630.105 6.457 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2c(C)ccc(CO[N+](=O)[O-])c2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028571691 561939526 /nfs/dbraw/zinc/93/95/26/561939526.db2.gz DTNABQCZGLHXTC-UHFFFAOYSA-N -1 3 630.105 6.457 1 0 KKAFHM COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@H]4C)ccc3n2Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cc1 ZINC000028755403 561955470 /nfs/dbraw/zinc/95/54/70/561955470.db2.gz JCBGCQCSVQTAEL-HXUWFJFHSA-N -1 3 568.641 5.467 1 0 KKAFHM COc1ccc(-c2nc3cc(C4=NNC(=O)C[C@H]4C)ccc3n2Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cc1 ZINC000028755403 561955471 /nfs/dbraw/zinc/95/54/71/561955471.db2.gz JCBGCQCSVQTAEL-HXUWFJFHSA-N -1 3 568.641 5.467 1 0 KKAFHM CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)c(OC2CCN(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC000028825279 561970685 /nfs/dbraw/zinc/97/06/85/561970685.db2.gz XISNPGOJFMCCPJ-UHFFFAOYSA-N -1 3 641.168 7.279 1 0 KKAFHM COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc(I)c1[O-] ZINC000028881519 561976869 /nfs/dbraw/zinc/97/68/69/561976869.db2.gz MURCRXUGUQKGCR-HXUWFJFHSA-N -1 3 598.547 5.035 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(I)c1[O-] ZINC000028881832 561977127 /nfs/dbraw/zinc/97/71/27/561977127.db2.gz FGGWJKJSKSBPIX-HXUWFJFHSA-N -1 3 612.574 5.468 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)[O-])Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000028949150 561980415 /nfs/dbraw/zinc/98/04/15/561980415.db2.gz KKTNEVSIJGCPKF-UHFFFAOYSA-N -1 3 562.666 6.937 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CC(=O)[O-])Cc2cccc(Oc3ccccc3)c2)c1 ZINC000028949110 561980463 /nfs/dbraw/zinc/98/04/63/561980463.db2.gz HBRAVDOKKHPFKW-UHFFFAOYSA-N -1 3 548.639 7.151 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)[O-])Cc2ccc(Oc3ccccc3)cc2)cc1 ZINC000028949149 561980482 /nfs/dbraw/zinc/98/04/82/561980482.db2.gz HJUKWDHJEFRHJW-UHFFFAOYSA-N -1 3 548.639 7.151 1 0 KKAFHM CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1c2cc(-c3nc(=O)o[n-]3)ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000028949702 561980781 /nfs/dbraw/zinc/98/07/81/561980781.db2.gz HNRSWIBLSLTBRF-JOCHJYFZSA-N -1 3 541.696 5.500 1 0 KKAFHM CCc1nc2ccc(N(CC=C(C)C)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029234440 562009516 /nfs/dbraw/zinc/00/95/16/562009516.db2.gz ALZKZYQRFDKNDI-UHFFFAOYSA-N -1 3 595.707 6.467 1 0 KKAFHM CCc1nc2ccc(N(CC=C(C)C)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029234440 562009517 /nfs/dbraw/zinc/00/95/17/562009517.db2.gz ALZKZYQRFDKNDI-UHFFFAOYSA-N -1 3 595.707 6.467 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029238784 562009954 /nfs/dbraw/zinc/00/99/54/562009954.db2.gz QVBVXALYRDHJNG-UHFFFAOYSA-N -1 3 613.722 6.654 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029238784 562009955 /nfs/dbraw/zinc/00/99/55/562009955.db2.gz QVBVXALYRDHJNG-UHFFFAOYSA-N -1 3 613.722 6.654 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC(c4cc(C)cs4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029411106 562021685 /nfs/dbraw/zinc/02/16/85/562021685.db2.gz GNQYKXVQRXYFJK-PMERELPUSA-N -1 3 601.736 6.870 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC(c4cc(C)cs4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029411106 562021686 /nfs/dbraw/zinc/02/16/86/562021686.db2.gz GNQYKXVQRXYFJK-PMERELPUSA-N -1 3 601.736 6.870 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CCCO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029414044 562022539 /nfs/dbraw/zinc/02/25/39/562022539.db2.gz VPVDWYJURQJUOC-HHHXNRCGSA-N -1 3 506.610 5.486 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CCCO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029414044 562022541 /nfs/dbraw/zinc/02/25/41/562022541.db2.gz VPVDWYJURQJUOC-HHHXNRCGSA-N -1 3 506.610 5.486 1 0 KKAFHM CCCCC[C@@]1(C)CC(=O)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029472329 562025798 /nfs/dbraw/zinc/02/57/98/562025798.db2.gz GJHMKSCEQXDVEW-LPEFSEJTSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCCC[C@@]1(C)CC(=O)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029472329 562025799 /nfs/dbraw/zinc/02/57/99/562025799.db2.gz GJHMKSCEQXDVEW-LPEFSEJTSA-N -1 3 501.631 5.690 1 0 KKAFHM NCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000035272952 562045098 /nfs/dbraw/zinc/04/50/98/562045098.db2.gz SINQOFCKMDREFS-UHFFFAOYSA-N -1 3 511.021 6.711 1 0 KKAFHM CCCCC(=O)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@H]1C(=O)[N-]c1cc(C)no1 ZINC000036330388 562055635 /nfs/dbraw/zinc/05/56/35/562055635.db2.gz CGLDQNAZWLLHQY-WNCULLNHSA-N -1 3 600.945 5.324 1 0 KKAFHM C=C/C(C)=C/C[C@]1(C)[C@H](C)CC[C@@]23C(=C[C@H](OC(=O)c4ccc([O-])c(OC)c4)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000042834559 560085609 /nfs/dbraw/zinc/08/56/09/560085609.db2.gz HSCLLTPGIBCIBD-DZHOVOBOSA-N -1 3 568.663 5.626 1 0 biogenic,in-vitro KKAFHM CCC/C=C/CCCCCCc1cc([O-])cc(O)c1C(=O)O[C@H](CCC)CCCCCCCc1cc(O)cc(O)c1 ZINC000003974650 560191875 /nfs/dbraw/zinc/19/18/75/560191875.db2.gz LYMWNVVWPGMTHS-NKNXCTTOSA-N -1 3 568.795 9.267 1 0 in-vitro KKAFHM COc1ccc([C@](OCCN2CCC[C@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000043273856 562647302 /nfs/dbraw/zinc/64/73/02/562647302.db2.gz JLPFRSGXRAQFON-MMTVBGGISA-N -1 3 581.553 6.838 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2ccc(CO[N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000043511573 562648748 /nfs/dbraw/zinc/64/87/48/562648748.db2.gz WDKMHDPATXJWEF-UHFFFAOYSA-N -1 3 602.051 5.840 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2ccc(CO[N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000043511573 562648749 /nfs/dbraw/zinc/64/87/49/562648749.db2.gz WDKMHDPATXJWEF-UHFFFAOYSA-N -1 3 602.051 5.840 1 0 KKAFHM CCCCCc1cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)OC(C)(C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1 ZINC000044404174 562656399 /nfs/dbraw/zinc/65/63/99/562656399.db2.gz XFHILZJWJRPXJU-FYNDAFEESA-N -1 3 564.851 10.308 1 0 KKAFHM O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000045189325 562658394 /nfs/dbraw/zinc/65/83/94/562658394.db2.gz KOKDZGOZSFOYDQ-HFZDXXHNSA-N -1 3 523.460 6.412 1 0 KKAFHM O=C(N[C@@H](CC1CCCCC1)C(=O)NCCN1CCCC1)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000045227789 562659386 /nfs/dbraw/zinc/65/93/86/562659386.db2.gz SPNHGMFIFSJOHI-VWLOTQADSA-N -1 3 531.619 5.359 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCCC1)c1ccc([O-])c(-c2ccc(Cl)c(Cl)c2)c1 ZINC000045318778 562660959 /nfs/dbraw/zinc/66/09/59/562660959.db2.gz RWNMFKZPHKCEGX-SANMLTNESA-N -1 3 525.476 6.546 1 0 KKAFHM COc1ccc([C@@H](CCC[N-]S(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049679563 562668935 /nfs/dbraw/zinc/66/89/35/562668935.db2.gz JOTYMLKDQAFRFK-VAVYLYDRSA-N -1 3 688.872 5.745 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000049709522 562671379 /nfs/dbraw/zinc/67/13/79/562671379.db2.gz NJSHGBWWGXJLAI-UHFFFAOYSA-N -1 3 669.270 8.361 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000049709522 562671380 /nfs/dbraw/zinc/67/13/80/562671380.db2.gz NJSHGBWWGXJLAI-UHFFFAOYSA-N -1 3 669.270 8.361 1 0 KKAFHM CCC(CC)(C(=O)[O-])c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000049723273 562673128 /nfs/dbraw/zinc/67/31/28/562673128.db2.gz TYOGYVGOHLVBEF-UHFFFAOYSA-N -1 3 638.170 9.604 1 0 KKAFHM Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cc(Cl)ccc2OCCOCCOCC(=O)[O-])n1 ZINC000049746496 562674480 /nfs/dbraw/zinc/67/44/80/562674480.db2.gz JMNCKOSYQMHXPR-UHFFFAOYSA-N -1 3 589.095 5.721 1 0 KKAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CCCN3CCOCC3)c1cc2-c1c(Cl)cccc1Cl ZINC000049872520 562690104 /nfs/dbraw/zinc/69/01/04/562690104.db2.gz VCILCSWAAWCHHY-UHFFFAOYSA-N -1 3 524.404 5.080 1 0 KKAFHM COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](NCCCCC(=O)[O-])c3ccccc3)c2=O)c1F ZINC000049898885 562692980 /nfs/dbraw/zinc/69/29/80/562692980.db2.gz KLOIUBZMBUJOJL-SANMLTNESA-N -1 3 645.625 5.925 1 0 KKAFHM O=C(CNC(=O)c1ccc([O-])cc1)Nc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000049917786 562693921 /nfs/dbraw/zinc/69/39/21/562693921.db2.gz DVTWENZRONOMLW-UHFFFAOYSA-N -1 3 530.506 5.990 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(-c2ccc(F)cc2)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327398 562702748 /nfs/dbraw/zinc/70/27/48/562702748.db2.gz DNNVDAWHZPFRIT-LJQANCHMSA-N -1 3 542.652 5.055 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)Cl)nc1OC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327389 562702755 /nfs/dbraw/zinc/70/27/55/562702755.db2.gz WJAVAXPNJXMTTE-AWEZNQCLSA-N -1 3 534.000 5.012 1 0 KKAFHM CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000064527411 562706900 /nfs/dbraw/zinc/70/69/00/562706900.db2.gz CHFDWFFZQMQVKM-IGKIAQTJSA-N -1 3 522.605 5.054 1 0 KKAFHM CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000064527425 562706941 /nfs/dbraw/zinc/70/69/41/562706941.db2.gz MRIHQCJVQYWBME-VMPREFPWSA-N -1 3 550.659 5.834 1 0 KKAFHM COc1cc(C(c2c3ccccc3[nH]c2-c2ccccc2)c2c3ccccc3[nH]c2-c2ccccc2)cc(Br)c1[O-] ZINC000064573486 562708735 /nfs/dbraw/zinc/70/87/35/562708735.db2.gz PVAZCHGEHJQVMW-UHFFFAOYSA-N -1 3 599.528 9.640 1 0 KKAFHM C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2C2CC2)CC1)N([O-])C=O)c1ncc(F)cn1 ZINC000066074977 562709940 /nfs/dbraw/zinc/70/99/40/562709940.db2.gz HUWMGZNULSXXSW-PPHZAIPVSA-N -1 3 600.679 5.286 1 0 KKAFHM O=C([O-])c1ccc(-c2noc(C3CCN(CCC(=O)N4CCC[C@H]4c4nc5cc(Cl)c(Cl)cc5[nH]4)CC3)n2)cc1 ZINC000066077854 562710327 /nfs/dbraw/zinc/71/03/27/562710327.db2.gz XRBSZQSBXQMEGT-QHCPKHFHSA-N -1 3 583.476 5.551 1 0 KKAFHM COC(=O)c1cc2c(cc1[O-])oc(-c1ccccc1)c2-c1cn(CCCC(=O)Nc2ccc(Cl)c3ccccc23)nn1 ZINC000066112086 562711935 /nfs/dbraw/zinc/71/19/35/562711935.db2.gz VIQIQUWPONEFLM-UHFFFAOYSA-N -1 3 581.028 7.076 1 0 KKAFHM N[C@@H](CCc1ccccc1)C(=O)Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000072118013 562723383 /nfs/dbraw/zinc/72/33/83/562723383.db2.gz WUFDRKPYCKBKMS-JDXGNMNLSA-N -1 3 600.115 5.633 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072128663 562726205 /nfs/dbraw/zinc/72/62/05/562726205.db2.gz WTOYNTRHIJDKLN-XDWGWCSASA-N -1 3 659.805 5.640 3 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072316990 562733137 /nfs/dbraw/zinc/73/31/37/562733137.db2.gz IEUPDMDPHSCKBD-UHFFFAOYSA-N -1 3 615.738 6.182 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072316990 562733138 /nfs/dbraw/zinc/73/31/38/562733138.db2.gz IEUPDMDPHSCKBD-UHFFFAOYSA-N -1 3 615.738 6.182 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3ccccc3OC)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000072316991 562733148 /nfs/dbraw/zinc/73/31/48/562733148.db2.gz UWRRERFHPVVHIY-UHFFFAOYSA-N -1 3 571.685 6.131 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3ccccc3OC)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000072316991 562733149 /nfs/dbraw/zinc/73/31/49/562733149.db2.gz UWRRERFHPVVHIY-UHFFFAOYSA-N -1 3 571.685 6.131 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(OC)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073138860 562733389 /nfs/dbraw/zinc/73/33/89/562733389.db2.gz PDNCVTOLRGBACF-VMPREFPWSA-N -1 3 620.558 7.465 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(OC)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073138869 562733421 /nfs/dbraw/zinc/73/34/21/562733421.db2.gz PDNCVTOLRGBACF-FQLXRVMXSA-N -1 3 620.558 7.465 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Nc3nccc(-c4cc(OC)c(OC)c(OC)c4)n3)c2)cc1OC ZINC000073157741 562733887 /nfs/dbraw/zinc/73/38/87/562733887.db2.gz YPVPWBBHROGKJF-UHFFFAOYSA-N -1 3 566.636 5.039 1 0 KKAFHM CCOC(=O)CCCSc1nc2c([n-]1)c(Br)c(Br)c(Br)c2Br ZINC000073199419 562736038 /nfs/dbraw/zinc/73/60/38/562736038.db2.gz WUTGPZBSIFMNOU-UHFFFAOYSA-N -1 3 579.934 6.048 1 0 KKAFHM COc1ccc(NC(=O)[N-]c2nc3cn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000073220139 562736191 /nfs/dbraw/zinc/73/61/91/562736191.db2.gz ZMRKZXCDAWJGSF-UHFFFAOYSA-N -1 3 507.554 5.624 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000082136661 562739012 /nfs/dbraw/zinc/73/90/12/562739012.db2.gz GJOGVNKXCOLNRU-WUFINQPMSA-N -1 3 658.529 8.475 1 0 KKAFHM COc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000082137960 562739054 /nfs/dbraw/zinc/73/90/54/562739054.db2.gz FMMGEWPMVFMHDR-UHFFFAOYSA-N -1 3 646.515 6.830 1 0 KKAFHM Cc1cc(Oc2ccc(C(=O)NCCN3CCCCC3)cc2)c([N-]S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1Cl ZINC000082137959 562739060 /nfs/dbraw/zinc/73/90/60/562739060.db2.gz HPYVPUBFNFTSRZ-UHFFFAOYSA-N -1 3 630.516 7.129 1 0 KKAFHM CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4[S@@](=O)CCO)n3c2)n(-c2ccc([O-])c(Cl)c2)n1 ZINC000082138009 562739118 /nfs/dbraw/zinc/73/91/18/562739118.db2.gz XPMPOYNLDHECJT-ANFMRNGASA-N -1 3 716.289 6.811 1 0 KKAFHM CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4[O-])n3c2)n(-c2cccc(OCCO)c2)n1 ZINC000082164763 562741247 /nfs/dbraw/zinc/74/12/47/562741247.db2.gz NEWIWTAZYPBONH-UHFFFAOYSA-N -1 3 649.777 6.429 1 0 KKAFHM CC(C)C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084652970 562746707 /nfs/dbraw/zinc/74/67/07/562746707.db2.gz LFVCDYNSNUXPQD-YZNIXAGQSA-N -1 3 595.700 5.008 1 0 KKAFHM COc1ccc(C[C@H](N)C(=O)Nc2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2OCCc2c[nH]c3ccccc23)cc1 ZINC000084669389 562747955 /nfs/dbraw/zinc/74/79/55/562747955.db2.gz NFJRIGBVHKQYKI-NHZFLZHXSA-N -1 3 659.743 5.214 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(F)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687667 562748965 /nfs/dbraw/zinc/74/89/65/562748965.db2.gz CIUSCLQUSDSXLH-RTWAWAEBSA-N -1 3 503.382 5.983 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(Cl)ccc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084687662 562749003 /nfs/dbraw/zinc/74/90/03/562749003.db2.gz ROCKDFSXPIQWDD-NHCUHLMSSA-N -1 3 519.837 6.498 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(C(F)(F)F)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084688295 562749125 /nfs/dbraw/zinc/74/91/25/562749125.db2.gz KBEGAMLYWGDXDB-RTWAWAEBSA-N -1 3 553.389 6.863 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000084688729 562749258 /nfs/dbraw/zinc/74/92/58/562749258.db2.gz AUFYZCHIDFVDQF-UHFFFAOYSA-N -1 3 571.685 6.131 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCc3cccc(OC)c3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000084688729 562749259 /nfs/dbraw/zinc/74/92/59/562749259.db2.gz AUFYZCHIDFVDQF-UHFFFAOYSA-N -1 3 571.685 6.131 1 0 KKAFHM Cc1cccnc1CN1CCC2(CC1)c1cc(C(=O)[O-])ccc1N(c1ccc(-c3ccccc3)cc1)C2=O ZINC000084712111 562750742 /nfs/dbraw/zinc/75/07/42/562750742.db2.gz NVDUPXDEBARONG-UHFFFAOYSA-N -1 3 503.602 5.967 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000095544862 562757949 /nfs/dbraw/zinc/75/79/49/562757949.db2.gz HCQBNTGBKDETHA-UHFFFAOYSA-N -1 3 812.524 8.333 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2cccc3c2cccc3N(C)C)cc1N1CCN(CCCCCCCCNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000095544869 562757957 /nfs/dbraw/zinc/75/79/57/562757957.db2.gz YRADJILHDILUQA-UHFFFAOYSA-N -1 3 801.092 7.376 1 0 KKAFHM COCCOCCOCCOc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccc(C(=O)[O-])c(NC(=O)c4ccc5ncccc5c4)c3)cc1)CC2 ZINC000095548711 562759429 /nfs/dbraw/zinc/75/94/29/562759429.db2.gz DCENPAKGFOQFKF-UHFFFAOYSA-N -1 3 762.860 6.105 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(C(F)(F)F)nc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559212 562762657 /nfs/dbraw/zinc/76/26/57/562762657.db2.gz QPHHSLBLTLBSOS-DWXRJYCRSA-N -1 3 550.543 7.796 1 0 KKAFHM CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2cc(F)ccc2[O-])n3Cc2ccc(=O)[nH]c2)n1 ZINC000095564128 562764199 /nfs/dbraw/zinc/76/41/99/562764199.db2.gz IIFOJTZYTVSHQQ-UHFFFAOYSA-N -1 3 509.541 5.601 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(-c3ccccc3)cc1)O2 ZINC000095566452 562765042 /nfs/dbraw/zinc/76/50/42/562765042.db2.gz IVNKSYFTCQFKFE-PYAKLNENSA-N -1 3 646.810 5.040 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095566508 562765104 /nfs/dbraw/zinc/76/51/04/562765104.db2.gz MLNWPGCJBNVZPL-CBUPUIKESA-N -1 3 706.265 5.327 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095567661 562765946 /nfs/dbraw/zinc/76/59/46/562765946.db2.gz LFZLAWVTNRSJHJ-MJZSVGSSSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095567933 562766165 /nfs/dbraw/zinc/76/61/65/562766165.db2.gz MNZYSAQRTSNRPQ-JQASONJCSA-N -1 3 664.224 6.285 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095570755 562768448 /nfs/dbraw/zinc/76/84/48/562768448.db2.gz ZBBNPLMVFVREHD-INRPXOMJSA-N -1 3 719.867 6.742 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095570886 562768565 /nfs/dbraw/zinc/76/85/65/562768565.db2.gz RKBLFXPXPCVUTN-SFXKCFQESA-N -1 3 662.252 6.089 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2C1=O ZINC000095570838 562768577 /nfs/dbraw/zinc/76/85/77/562768577.db2.gz MCLYKCAHKFGNAQ-SUCLBKFRSA-N -1 3 728.809 6.975 3 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095571328 562768967 /nfs/dbraw/zinc/76/89/67/562768967.db2.gz ZMUNMDKTHUEIDP-SFXKCFQESA-N -1 3 645.797 5.575 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC2(CC(c3ccccc3)=NO2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095572825 562769488 /nfs/dbraw/zinc/76/94/88/562769488.db2.gz UANGGHZFFAEILO-IBGZPJMESA-N -1 3 633.668 5.195 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC2(CC(c3ccccc3)=NO2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095572826 562769490 /nfs/dbraw/zinc/76/94/90/562769490.db2.gz UANGGHZFFAEILO-LJQANCHMSA-N -1 3 633.668 5.195 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccsc1 ZINC000095575842 562770465 /nfs/dbraw/zinc/77/04/65/562770465.db2.gz GHTGDJMGVZIOQJ-NTEUORMPSA-N -1 3 610.780 6.495 1 0 KKAFHM COc1ccc(-c2c(C3CCCC3)c3ccc(C(=O)NC4(C(=O)Nc5ccc(/C=C/C(=O)[O-])cc5)CCN(C)CC4)cc3n2C)nc1 ZINC000095577521 562771003 /nfs/dbraw/zinc/77/10/03/562771003.db2.gz OLSGVTORFMQYSS-LICLKQGHSA-N -1 3 635.765 5.837 1 0 KKAFHM CCC(CC)C[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000095579839 562771687 /nfs/dbraw/zinc/77/16/87/562771687.db2.gz UYBHFPHFNCWVMH-JYFHCDHNSA-N -1 3 554.087 6.193 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095598758 562777470 /nfs/dbraw/zinc/77/74/70/562777470.db2.gz ILRCCMQCDZZMAZ-XFBASLRHSA-N -1 3 706.265 5.327 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2cccc4ccccc42)OCCCC[C@@H](C)O3)cc1 ZINC000095599084 562777745 /nfs/dbraw/zinc/77/77/45/562777745.db2.gz USSUINMNPXSLJL-ITCLNTCFSA-N -1 3 730.928 6.908 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599224 562777871 /nfs/dbraw/zinc/77/78/71/562777871.db2.gz UFTUBZJHXRESLK-IFGDVQFWSA-N -1 3 724.723 6.861 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599340 562777981 /nfs/dbraw/zinc/77/79/81/562777981.db2.gz QMCFBRPLMVFDBX-QZCKSCMDSA-N -1 3 740.285 7.087 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095599316 562778009 /nfs/dbraw/zinc/77/80/09/562778009.db2.gz LGFCYAUQAJYOOY-CNFUJFEGSA-N -1 3 711.869 6.495 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095599364 562778023 /nfs/dbraw/zinc/77/80/23/562778023.db2.gz CBQVGICLIDWTFD-BNJCFXFUSA-N -1 3 620.599 5.075 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc2ccccc2)OCCCC[C@@H](C)O3)cc1 ZINC000095599874 562778363 /nfs/dbraw/zinc/77/83/63/562778363.db2.gz OMXGIFPVQOYVQB-ZUDLYUOYSA-N -1 3 696.867 5.455 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095599923 562778461 /nfs/dbraw/zinc/77/84/61/562778461.db2.gz ZETMRDHMCISLLD-GJWZSCNASA-N -1 3 764.864 6.474 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095600128 562778596 /nfs/dbraw/zinc/77/85/96/562778596.db2.gz LGFCYAUQAJYOOY-BHUVWSLTSA-N -1 3 711.869 6.495 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095600190 562778697 /nfs/dbraw/zinc/77/86/97/562778697.db2.gz URXZZUBQVMOKIH-DRGJWEBESA-N -1 3 641.017 5.800 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc3ccccc32)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600401 562778846 /nfs/dbraw/zinc/77/88/46/562778846.db2.gz HLACSLXCJWOJFV-UBTSJCLPSA-N -1 3 734.891 6.739 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095601946 562779841 /nfs/dbraw/zinc/77/98/41/562779841.db2.gz RXIJSVCALBVVES-FXKJGQKXSA-N -1 3 706.733 6.722 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(C)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095602321 562780018 /nfs/dbraw/zinc/78/00/18/562780018.db2.gz TWITWBWSJUAADS-LQHHRKQYSA-N -1 3 715.935 5.220 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2 ZINC000095602371 562780036 /nfs/dbraw/zinc/78/00/36/562780036.db2.gz CBAAPWVHONFTKW-LJUIALDASA-N -1 3 724.843 6.039 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095602373 562780075 /nfs/dbraw/zinc/78/00/75/562780075.db2.gz UQRVVYXDOOLUAO-SUCLBKFRSA-N -1 3 723.830 6.573 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095603405 562780503 /nfs/dbraw/zinc/78/05/03/562780503.db2.gz RXIJSVCALBVVES-GJWZSCNASA-N -1 3 706.733 6.722 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2C1=O ZINC000095604012 562780767 /nfs/dbraw/zinc/78/07/67/562780767.db2.gz UIKXZKCHSBRXDR-CYCDCDHJSA-N -1 3 705.840 6.434 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604333 562781006 /nfs/dbraw/zinc/78/10/06/562781006.db2.gz QMCFBRPLMVFDBX-NAJARDBOSA-N -1 3 740.285 7.087 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095605107 562781369 /nfs/dbraw/zinc/78/13/69/562781369.db2.gz LFZLAWVTNRSJHJ-BTHRYZMCSA-N -1 3 735.866 6.442 1 0 KKAFHM COc1cc(C(=O)N2CC[C@@](CCN3CCC(C(=O)c4nc5ccccc5n4CCCCOc4ccccc4C(=O)[O-])CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000095614436 562786604 /nfs/dbraw/zinc/78/66/04/562786604.db2.gz RTZKLQYXUHBGFX-YACUFSJGSA-N -1 3 788.942 7.388 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1=O ZINC000095846828 562789525 /nfs/dbraw/zinc/78/95/25/562789525.db2.gz NLNOREAGNASAOL-KUXNCQQFSA-N -1 3 643.872 5.476 1 0 KKAFHM CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3nnn[n-]3)cccc2C1=O ZINC000095872121 562789988 /nfs/dbraw/zinc/78/99/88/562789988.db2.gz ZOMBISWWQFPDRT-KDYSTLNUSA-N -1 3 526.641 5.039 1 0 KKAFHM CC(C)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c(-c3nn[n-]n3)cccc2C1=O ZINC000095872121 562789989 /nfs/dbraw/zinc/78/99/89/562789989.db2.gz ZOMBISWWQFPDRT-KDYSTLNUSA-N -1 3 526.641 5.039 1 0 KKAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc(C4=CCN(C(C)C)CC4)nc32)c1 ZINC000096175744 562791937 /nfs/dbraw/zinc/79/19/37/562791937.db2.gz FAPPNSTXRLTGTB-UHFFFAOYSA-N -1 3 657.841 6.504 1 0 KKAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(Nc2ncnc3ccc([C@@H]4CCN(C)C4)nc32)c1 ZINC000096175756 562791999 /nfs/dbraw/zinc/79/19/99/562791999.db2.gz FJWLTICFCATXQI-OAQYLSRUSA-N -1 3 617.776 5.426 1 0 KKAFHM CCCC[C@@H](CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270952 562793571 /nfs/dbraw/zinc/79/35/71/562793571.db2.gz ZNSYELSQJFXBLR-VQIMIIECSA-N -1 3 547.615 5.769 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCc1cccc(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096271000 562793680 /nfs/dbraw/zinc/79/36/80/562793680.db2.gz QHEQLRKMHMJZSR-AWEZNQCLSA-N -1 3 559.969 5.263 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccccc1Cl)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286063 562796026 /nfs/dbraw/zinc/79/60/26/562796026.db2.gz SRIVBTPJBMJUTC-CQSZACIVSA-N -1 3 576.037 5.977 1 0 KKAFHM CCCCCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286107 562796060 /nfs/dbraw/zinc/79/60/60/562796060.db2.gz WANPEYKEPQFXDL-CQSZACIVSA-N -1 3 521.602 5.313 1 0 KKAFHM C[C@@H]1O[C@H](c2ccc3c(OCc4ccccc4)cccc3c2[O-])C[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 ZINC000096909742 562799731 /nfs/dbraw/zinc/79/97/31/562799731.db2.gz PZJBNNYOUSAXQC-JQODTUQTSA-N -1 3 560.690 8.145 1 0 KKAFHM O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1)c1ccc(-c2ccc([O-])c(F)c2)cc1F ZINC000096930108 562803173 /nfs/dbraw/zinc/80/31/73/562803173.db2.gz XIOYGMZYXAZGAH-SANMLTNESA-N -1 3 512.516 5.194 1 0 KKAFHM CC(C)Oc1ccccc1N1CCN([C@H]2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000101127797 562809386 /nfs/dbraw/zinc/80/93/86/562809386.db2.gz KAHFZGUOPFFVHW-OYRHEFFESA-N -1 3 526.530 5.192 1 0 KKAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cccc3ccccc32)cc1Cl ZINC000103224444 562817587 /nfs/dbraw/zinc/81/75/87/562817587.db2.gz ODQUEOATUYWCQY-UHFFFAOYSA-N -1 3 575.137 5.066 1 0 KKAFHM Fc1cc(C(F)(F)F)cc([C@@](Cc2ccccc2)([N-]c2nc3ccccc3o2)c2ccc(Cl)cn2)c1 ZINC000103264091 562821886 /nfs/dbraw/zinc/82/18/86/562821886.db2.gz QPVKVNVEJJVJMG-AREMUKBSSA-N -1 3 511.906 7.633 1 0 KKAFHM O=C([O-])C1CN(Cc2ccc(-c3noc(/C=C/C4(c5ccc(C(F)(F)F)cc5)CCCCC4)n3)cc2)C1 ZINC000113880109 562826920 /nfs/dbraw/zinc/82/69/20/562826920.db2.gz IKUMCHMGGIMNOK-NTCAYCPXSA-N -1 3 511.544 6.187 1 0 KKAFHM CN(C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3c(F)cc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cc1 ZINC000114036238 562827019 /nfs/dbraw/zinc/82/70/19/562827019.db2.gz QLMMOGLDRJECDV-UHFFFAOYSA-N -1 3 524.423 7.451 1 0 KKAFHM CN(C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3cc(F)c(-c4cc(Cl)c([O-])c(Cl)c4)cc32)cc1 ZINC000114035284 562827022 /nfs/dbraw/zinc/82/70/22/562827022.db2.gz KZPPDCBULCMLEC-UHFFFAOYSA-N -1 3 524.423 7.451 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(CN2CCCC2)cc1)C1CC1 ZINC000114035465 562827073 /nfs/dbraw/zinc/82/70/73/562827073.db2.gz PGHOVYGUXUVHIT-UHFFFAOYSA-N -1 3 532.471 7.846 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(-c4ccc(N5CCN(C)CC5)cc4)c3c2)cc(Cl)c1[O-] ZINC000114038612 562827362 /nfs/dbraw/zinc/82/73/62/562827362.db2.gz GLHROWBUCMOGNC-UHFFFAOYSA-N -1 3 528.052 6.281 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4cccc(C(=O)[O-])c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000114354514 562828087 /nfs/dbraw/zinc/82/80/87/562828087.db2.gz ZFMDOHODYSKTJM-UHFFFAOYSA-N -1 3 548.611 5.980 1 0 KKAFHM O=S(=O)([N-]c1ccc(F)c([C@@H](O)c2c[nH]c3ncnc(C4CC4)c23)c1F)c1ccc(C(F)(F)F)cc1 ZINC000115198700 562828802 /nfs/dbraw/zinc/82/88/02/562828802.db2.gz JNWUATNSUZNUDD-NRFANRHFSA-N -1 3 524.471 5.015 1 0 KKAFHM O=S(=O)([N-]c1ccc(F)c([C@H](O)c2c[nH]c3ncnc(C4CC4)c23)c1F)c1ccc(C(F)(F)F)cc1 ZINC000115198702 562828821 /nfs/dbraw/zinc/82/88/21/562828821.db2.gz JNWUATNSUZNUDD-OAQYLSRUSA-N -1 3 524.471 5.015 1 0 KKAFHM CC(C)c1cc(-c2nnc(Nc3cccc(C(F)(F)F)c3)n2-c2ccc3c(ccn3C)c2)c([O-])cc1O ZINC000115811327 562829077 /nfs/dbraw/zinc/82/90/77/562829077.db2.gz BAYYSWDARVOTBH-UHFFFAOYSA-N -1 3 507.516 6.723 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)C2CCCC2)cc1F ZINC000138769659 562832151 /nfs/dbraw/zinc/83/21/51/562832151.db2.gz JTOJUEFEERFUIY-XMMPIXPASA-N -1 3 587.705 6.626 1 0 KKAFHM CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](c2cccc(F)c2)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000138792267 562832209 /nfs/dbraw/zinc/83/22/09/562832209.db2.gz ZEAZUKHHCGIWEL-RUZDIDTESA-N -1 3 596.622 5.435 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])c(OC)c4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000144603965 562836471 /nfs/dbraw/zinc/83/64/71/562836471.db2.gz ARWGUONIXMILGX-UHFFFAOYSA-N -1 3 578.637 5.988 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc2ccc(C(F)(F)F)nc21 ZINC000144613777 562836516 /nfs/dbraw/zinc/83/65/16/562836516.db2.gz VAXAWTWXOCBUPA-UHFFFAOYSA-N -1 3 529.515 5.342 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4F)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144640359 562836555 /nfs/dbraw/zinc/83/65/55/562836555.db2.gz GEFMDISLBMFXCF-UHFFFAOYSA-N -1 3 572.555 6.307 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1 ZINC000144700191 562836635 /nfs/dbraw/zinc/83/66/35/562836635.db2.gz POHCDOVBIRYNCV-UHFFFAOYSA-N -1 3 567.061 6.537 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145670948 562837464 /nfs/dbraw/zinc/83/74/64/562837464.db2.gz WVMIAHSJCZIZEJ-CQSZACIVSA-N -1 3 501.546 5.079 1 0 KKAFHM CCC1CCN(c2cc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000145667089 562837454 /nfs/dbraw/zinc/83/74/54/562837454.db2.gz GEWYOIVGTTUNKA-MRXNPFEDSA-N -1 3 529.600 5.262 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(S(=O)(=O)c1ccc(Oc3ccccc3)nc1)C2 ZINC000146028631 562837933 /nfs/dbraw/zinc/83/79/33/562837933.db2.gz ZAZCOTLEJQPTSN-UHFFFAOYSA-N -1 3 610.671 5.961 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(S(=O)(=O)c1ccc(Oc3ccccc3)nc1)CC2 ZINC000146028631 562837934 /nfs/dbraw/zinc/83/79/34/562837934.db2.gz ZAZCOTLEJQPTSN-UHFFFAOYSA-N -1 3 610.671 5.961 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(Cl)c(Cl)c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146017894 562837954 /nfs/dbraw/zinc/83/79/54/562837954.db2.gz YNARTJIMGKSGFB-GFCCVEGCSA-N -1 3 564.388 6.005 1 0 KKAFHM Cc1ccc(N2CCN(c3cc(C(F)(F)F)ccc3CNC(=O)[C@@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)cc1 ZINC000146063518 562838077 /nfs/dbraw/zinc/83/80/77/562838077.db2.gz YOWRVUQLGBUPLP-FQEVSTJZSA-N -1 3 592.659 5.271 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CCN(C(=O)c1ccc(Cl)cn1)CC2 ZINC000146169131 562838317 /nfs/dbraw/zinc/83/83/17/562838317.db2.gz GWBVSOLJLGZYCG-UHFFFAOYSA-N -1 3 530.991 5.317 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146243890 562838377 /nfs/dbraw/zinc/83/83/77/562838377.db2.gz AQYAINZBOFTOFJ-ZDUSSCGKSA-N -1 3 529.943 5.351 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1CCC(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146432826 562838555 /nfs/dbraw/zinc/83/85/55/562838555.db2.gz XYURIWHHSMXYGJ-AWEZNQCLSA-N -1 3 503.562 5.010 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146524756 562838697 /nfs/dbraw/zinc/83/86/97/562838697.db2.gz HKZMRVSAAWOJAE-KXKDPZRNSA-N -1 3 521.536 5.201 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1/C=C/C(C)(C)C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146607032 562838708 /nfs/dbraw/zinc/83/87/08/562838708.db2.gz PGTODQABOSQSPZ-PLSXKVAHSA-N -1 3 501.546 5.090 1 0 KKAFHM CCCN(CCC)c1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146586781 562838731 /nfs/dbraw/zinc/83/87/31/562838731.db2.gz LRTKEBWVNJMBDT-MRXNPFEDSA-N -1 3 517.589 5.262 1 0 KKAFHM CN(CCOC(=O)CCCCCC(=O)OCCN(C)CCn1[n-]c2c3c(c(=O)c4cccc1c4-2)=C(Cl)CC=C3)CCn1nc2c3c1cccc3C(=O)c1c(Cl)cccc1-2 ZINC000169292234 562852009 /nfs/dbraw/zinc/85/20/09/562852009.db2.gz LYFVNBVFJKZHQF-OIVXELCOSA-N -1 3 837.805 7.440 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc(OC)c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324713 562857436 /nfs/dbraw/zinc/85/74/36/562857436.db2.gz MGGCMZLUWWYBBB-UHFFFAOYSA-N -1 3 559.630 5.269 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc(OC)c3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324713 562857437 /nfs/dbraw/zinc/85/74/37/562857437.db2.gz MGGCMZLUWWYBBB-UHFFFAOYSA-N -1 3 559.630 5.269 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=S)NCc4ccccc4)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000169339719 562860435 /nfs/dbraw/zinc/86/04/35/562860435.db2.gz KEQPXOAXBHXISN-PMERELPUSA-N -1 3 604.201 6.115 1 0 KKAFHM COc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc1 ZINC000169339687 562860468 /nfs/dbraw/zinc/86/04/68/562860468.db2.gz DDGCSEDJJMEAGR-WJOKGBTCSA-N -1 3 583.714 5.305 1 0 KKAFHM CCCCNC(=S)[N-]S(=O)(=O)c1ccc(N2N=C(c3ccc(N(C)C)cc3)C[C@H]2c2ccc(OC)cc2)cc1 ZINC000169339740 562860490 /nfs/dbraw/zinc/86/04/90/562860490.db2.gz SKNKVFCMMYRYOQ-NDEPHWFRSA-N -1 3 565.765 5.070 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc([N-]S(=O)(=O)c2ccc(-c3cnn(C)c3)cc2)cc1F ZINC000169345208 562861536 /nfs/dbraw/zinc/86/15/36/562861536.db2.gz DCZPJWOVYXWMRG-UHFFFAOYSA-N -1 3 660.772 5.392 1 0 KKAFHM CC1=C[C@@H]2c3c([O-])cc(C=O)cc3O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23 ZINC000169352032 562863057 /nfs/dbraw/zinc/86/30/57/562863057.db2.gz RYHSERHDCIACPJ-UWIQDFHRSA-N -1 3 524.569 6.272 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696070 562865866 /nfs/dbraw/zinc/86/58/66/562865866.db2.gz TXDPMWWXOKDALZ-UIOOFZCWSA-N -1 3 502.636 5.314 1 0 KKAFHM COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696145 562865916 /nfs/dbraw/zinc/86/59/16/562865916.db2.gz SNBJCOWKKNKKJK-UIOOFZCWSA-N -1 3 506.624 5.032 1 0 KKAFHM CCOC(=O)C(C)(C)C([O-])=C1C(=O)C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@@H]1c1ccccc1OC ZINC000169696298 562865961 /nfs/dbraw/zinc/86/59/61/562865961.db2.gz YKGYDTALUZSYBL-DNQXCXABSA-N -1 3 519.619 5.164 1 0 KKAFHM CCOC(=O)C(C)(C)C(=O)C1=C([O-])C(=O)N(c2ccc(-c3csc(C)c3)cc2)[C@@H]1c1ccccc1OC ZINC000169696298 562865962 /nfs/dbraw/zinc/86/59/62/562865962.db2.gz YKGYDTALUZSYBL-DNQXCXABSA-N -1 3 519.619 5.164 1 0 KKAFHM CN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)CC(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696282 562865970 /nfs/dbraw/zinc/86/59/70/562865970.db2.gz UDMBUOHYBXKLPN-JWQCQUIFSA-N -1 3 502.636 5.395 1 0 KKAFHM COCCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696375 562866018 /nfs/dbraw/zinc/86/60/18/562866018.db2.gz MQKYJLVLBNNQHJ-RRPNLBNLSA-N -1 3 505.636 5.719 1 0 KKAFHM CN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)C2CCCC2)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696469 562866054 /nfs/dbraw/zinc/86/60/54/562866054.db2.gz YOZXMYMVGJROFZ-LOSJGSFVSA-N -1 3 500.620 5.149 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000169696704 562866226 /nfs/dbraw/zinc/86/62/26/562866226.db2.gz VNXPGDTVXDCEJC-RSXGOPAZSA-N -1 3 517.651 5.145 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3N3CCCC3=O)cc2)cs1 ZINC000169696766 562866296 /nfs/dbraw/zinc/86/62/96/562866296.db2.gz JTAPFYIQJGFBCZ-CLJLJLNGSA-N -1 3 500.620 5.349 1 0 KKAFHM COCCOc1ccccc1[C@H]1c2c(n[n-]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696877 562866375 /nfs/dbraw/zinc/86/63/75/562866375.db2.gz POCNVSJBRFTFHL-VWLOTQADSA-N -1 3 503.624 5.183 1 0 KKAFHM CC(C)n1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c2c1cccc2OCc1ccccc1 ZINC000169702661 562868540 /nfs/dbraw/zinc/86/85/40/562868540.db2.gz RJFHHYBCYOZZMB-UHFFFAOYSA-N -1 3 553.659 6.491 1 0 KKAFHM O=C([O-])[C@H](c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)O[C@@H](c1cc(Cl)cc(Cl)c1)c1cccnc12 ZINC000169703941 562868901 /nfs/dbraw/zinc/86/89/01/562868901.db2.gz LRAVDJRDDIEAQM-VXKWHMMOSA-N -1 3 553.364 6.524 1 0 KKAFHM Cc1cc(C([O-])(C(F)(F)F)C(F)(F)F)ccc1-c1ccc(CN2CCN(Cc3ccncc3)CC2)cc1 ZINC000198456849 562872734 /nfs/dbraw/zinc/87/27/34/562872734.db2.gz JWMVVKIBOQCNKQ-UHFFFAOYSA-N -1 3 523.521 5.687 3 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3ccc(Cl)s3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202732572 562873845 /nfs/dbraw/zinc/87/38/45/562873845.db2.gz OMTUXUVKGKMPLB-PKTZIBPZSA-N -1 3 583.559 5.799 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cccs3)cc2[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000202735066 562873871 /nfs/dbraw/zinc/87/38/71/562873871.db2.gz DDMZLHLLAGGIKH-UPVQGACJSA-N -1 3 583.559 5.799 1 0 KKAFHM CN1CCN(C2CCN(c3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)CC1 ZINC000203800138 562874166 /nfs/dbraw/zinc/87/41/66/562874166.db2.gz RWGXMZURTQMRCH-UHFFFAOYSA-N -1 3 523.052 5.209 1 0 KKAFHM CN1CCC[C@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)C1 ZINC000203988722 562874238 /nfs/dbraw/zinc/87/42/38/562874238.db2.gz XJCNFOMZAJIODF-FQEVSTJZSA-N -1 3 520.008 6.199 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1N[C@@H]1CCCN(CCN(C)C)C1 ZINC000203987261 562874245 /nfs/dbraw/zinc/87/42/45/562874245.db2.gz HBCSKPHEJXULQA-LJQANCHMSA-N -1 3 501.458 5.555 1 0 KKAFHM O=C([N-]S(=O)(=O)C1CC1)c1cc(C2CC2)c(OCC2CN(C(c3ccccc3)c3ccccc3)C2)cc1F ZINC000216269234 562877473 /nfs/dbraw/zinc/87/74/73/562877473.db2.gz BNHHFJNBOOFAAC-UHFFFAOYSA-N -1 3 534.653 5.025 1 0 KKAFHM O=S(=O)([N-]c1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(CCCC(F)(F)F)C2 ZINC000220158814 562878372 /nfs/dbraw/zinc/87/83/72/562878372.db2.gz KFJALJLHZPROHP-UHFFFAOYSA-N -1 3 526.640 6.840 1 0 KKAFHM CC(C)(C)c1cnc(CCN2CCc3cc(S(=O)(=O)[N-]c4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1 ZINC000220160084 562878399 /nfs/dbraw/zinc/87/83/99/562878399.db2.gz SUGCNIQADYRTRS-UHFFFAOYSA-N -1 3 578.798 6.828 1 0 KKAFHM CCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)Nc2ccc(C(C)(C)C)cc2)C3)c(F)c1 ZINC000224840089 562880587 /nfs/dbraw/zinc/88/05/87/562880587.db2.gz JLIGIWZNIGGFNJ-UHFFFAOYSA-N -1 3 525.646 6.261 1 0 KKAFHM CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1cc(F)nc(F)c1)c(F)cc2[O-] ZINC000299823881 562883105 /nfs/dbraw/zinc/88/31/05/562883105.db2.gz AOVDOABPZSHYNE-UHFFFAOYSA-N -1 3 588.508 7.843 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299832517 562885846 /nfs/dbraw/zinc/88/58/46/562885846.db2.gz IDNAUFUZOZXDGX-PCKAHOCUSA-N -1 3 515.573 5.325 1 0 KKAFHM CC[C@@H]1CC=C(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000299833960 562886338 /nfs/dbraw/zinc/88/63/38/562886338.db2.gz PWFPKEHFLZSCDG-JKSUJKDBSA-N -1 3 527.584 5.624 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C)(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834843 562886579 /nfs/dbraw/zinc/88/65/79/562886579.db2.gz UZBSYJQUNMXCCN-OAHLLOKOSA-N -1 3 529.600 5.715 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1[C@H]1CC[C@H](C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834921 562886635 /nfs/dbraw/zinc/88/66/35/562886635.db2.gz WACMEXRQSXAUTA-ZWOKBUDYSA-N -1 3 557.654 6.351 1 0 KKAFHM Cc1ccc(C[C@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000299852413 562890913 /nfs/dbraw/zinc/89/09/13/562890913.db2.gz RNPSJKRCTCAWGS-DEOSSOPVSA-N -1 3 623.738 6.987 1 0 KKAFHM O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(N2C(=O)[N-]C(=O)[C@H]2c2ccc(OS(=O)(=O)c3cccc4cnccc43)cc2)CC1 ZINC000299861970 562893434 /nfs/dbraw/zinc/89/34/34/562893434.db2.gz MGYUMOHSRAXWSJ-HHHXNRCGSA-N -1 3 673.069 5.572 1 0 KKAFHM COc1ccccc1CN(C)CCCOc1ccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc1 ZINC000473114946 562898995 /nfs/dbraw/zinc/89/89/95/562898995.db2.gz PNNFMBPNANXPPI-UHFFFAOYSA-N -1 3 505.567 5.092 1 0 KKAFHM COc1ccccc1CN(C)CCCOc1ccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)cc1 ZINC000473114946 562898996 /nfs/dbraw/zinc/89/89/96/562898996.db2.gz PNNFMBPNANXPPI-UHFFFAOYSA-N -1 3 505.567 5.092 1 0 KKAFHM COc1ccccc1CN(C)CCCOc1cccc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)c1 ZINC000473116243 562899112 /nfs/dbraw/zinc/89/91/12/562899112.db2.gz VZMFKDNJVVZKID-UHFFFAOYSA-N -1 3 505.567 5.092 1 0 KKAFHM COc1ccccc1CN(C)CCCOc1cccc(-c2cc(=O)c3c([O-])c(OC)c(OC)cc3o2)c1 ZINC000473116243 562899113 /nfs/dbraw/zinc/89/91/13/562899113.db2.gz VZMFKDNJVVZKID-UHFFFAOYSA-N -1 3 505.567 5.092 1 0 KKAFHM CN(C)C[C@@]1(O)CC[C@H](Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c([O-])c(Cl)c4)cc32)CC1 ZINC000473159062 562902583 /nfs/dbraw/zinc/90/25/83/562902583.db2.gz FEBYRPLOGIYSFM-GCSLNTQSSA-N -1 3 528.480 5.576 1 0 KKAFHM COc1cc(CN(C[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)c2ccc(Cl)c(F)c2)ccc1OCCN1C(=O)CCC1=O ZINC000473244444 562904840 /nfs/dbraw/zinc/90/48/40/562904840.db2.gz LKFYHONURQIOHX-KCZVDYSFSA-N -1 3 575.077 5.470 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653694218 562906922 /nfs/dbraw/zinc/90/69/22/562906922.db2.gz OJJWHKGWQZJHPO-LJQANCHMSA-N -1 3 650.676 5.558 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653697076 562907046 /nfs/dbraw/zinc/90/70/46/562907046.db2.gz GEAZKIQQYDOFMM-IBGZPJMESA-N -1 3 699.148 6.080 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653697061 562907071 /nfs/dbraw/zinc/90/70/71/562907071.db2.gz ABKAFFVQIAVZDC-SFHVURJKSA-N -1 3 717.138 6.219 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653700713 562907373 /nfs/dbraw/zinc/90/73/73/562907373.db2.gz LMGBEANZPFGKMP-LJQANCHMSA-N -1 3 699.148 6.080 1 0 KKAFHM COC(=O)[C@H](Cc1ccccc1)N[P@@](=O)(Oc1ccccc1)Oc1ccc2c(c1)occ(-c1ccc([O-])cc1)c2=O ZINC000653708983 562908011 /nfs/dbraw/zinc/90/80/11/562908011.db2.gz BDULWNJOIGGTOT-JXHWHWBKSA-N -1 3 571.522 6.105 1 0 KKAFHM CCSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653757117 562911055 /nfs/dbraw/zinc/91/10/55/562911055.db2.gz PRCRZUBJQQJBJH-HSZRJFAPSA-N -1 3 587.753 6.886 1 0 KKAFHM CCSc1nc2c(cc(C(=O)NC[C@@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653757117 562911056 /nfs/dbraw/zinc/91/10/56/562911056.db2.gz PRCRZUBJQQJBJH-HSZRJFAPSA-N -1 3 587.753 6.886 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@H](COC)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653758333 562911104 /nfs/dbraw/zinc/91/11/04/562911104.db2.gz INTREKWVCPCQBT-SSEXGKCCSA-N -1 3 585.712 6.310 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@H](COC)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653758333 562911105 /nfs/dbraw/zinc/91/11/05/562911105.db2.gz INTREKWVCPCQBT-SSEXGKCCSA-N -1 3 585.712 6.310 1 0 KKAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@H](O)CSc4ncn(Cc5ccc(Cl)cc5Cl)n4)C3)c(F)cc2c1=O ZINC000653782555 562912166 /nfs/dbraw/zinc/91/21/66/562912166.db2.gz DKZOSCSWYWCMRH-HKUYNNGSSA-N -1 3 682.005 5.095 1 0 KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@@]1(C)CC(C)=C[C@@H]2c4c(C)c5c(cc4O[C@](O)(C3=O)[C@H]21)oc1cc(C)cc(O)c15 ZINC000085741860 574411289 /nfs/dbraw/zinc/41/12/89/574411289.db2.gz QPGYUCLUVQROTF-INRBVUADSA-N -1 3 536.580 6.954 1 0 endogenous,in-man KKAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CCCNc3ccccc3)c1cc2-c1c(Cl)cccc1Cl ZINC000042889037 581098137 /nfs/dbraw/zinc/09/81/37/581098137.db2.gz SEATYWORIJHESC-UHFFFAOYSA-N -1 3 530.411 6.860 1 0 KKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2cc(OCC(F)(F)F)ccc2n1 ZINC000001492998 561676403 /nfs/dbraw/zinc/67/64/03/561676403.db2.gz RCLGGIAMMVTFHF-UHFFFAOYSA-N -1 3 505.500 6.164 1 0 KKAFHM CCc1cc(OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2cc(OCC(F)(F)F)ccc2n1 ZINC000001492998 561676404 /nfs/dbraw/zinc/67/64/04/561676404.db2.gz RCLGGIAMMVTFHF-UHFFFAOYSA-N -1 3 505.500 6.164 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CC(c4ccc(C)cc4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003843004 561684074 /nfs/dbraw/zinc/68/40/74/561684074.db2.gz BLPQBVBBFOCDQQ-MGBGTMOVSA-N -1 3 595.707 6.809 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CC(c4ccc(C)cc4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003843004 561684076 /nfs/dbraw/zinc/68/40/76/561684076.db2.gz BLPQBVBBFOCDQQ-MGBGTMOVSA-N -1 3 595.707 6.809 1 0 KKAFHM CCCCc1nc2ccc(C3=NN4CCC[C@@H]4C3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003843027 561684114 /nfs/dbraw/zinc/68/41/14/561684114.db2.gz BPYRQFVJPKMNBY-XMMPIXPASA-N -1 3 544.663 5.207 1 0 KKAFHM CCCCc1nc2ccc(C3=NN4CCC[C@@H]4C3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003843027 561684116 /nfs/dbraw/zinc/68/41/16/561684116.db2.gz BPYRQFVJPKMNBY-XMMPIXPASA-N -1 3 544.663 5.207 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCOC(=O)OC(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003944534 561689730 /nfs/dbraw/zinc/68/97/30/561689730.db2.gz LUVPSYYPWHSEFN-UHFFFAOYSA-N -1 3 546.628 5.359 1 0 KKAFHM CCCc1nc(CC)c(C(=O)OCOC(=O)OC(C)(C)C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003944534 561689732 /nfs/dbraw/zinc/68/97/32/561689732.db2.gz LUVPSYYPWHSEFN-UHFFFAOYSA-N -1 3 546.628 5.359 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)CCC3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000013470128 561713729 /nfs/dbraw/zinc/71/37/29/561713729.db2.gz OGLPMQNZHVJQFI-NNFJYWIMSA-N -1 3 506.687 5.454 1 0 KKAFHM CN(C[C@@H]1CCCN(C)C1)C(=O)Cn1c2cc(C(=O)[O-])ccc2c(C2CCCCC2)c1-c1ccccc1 ZINC000013646579 561722654 /nfs/dbraw/zinc/72/26/54/561722654.db2.gz AWVLDLUQVKNAMT-JOCHJYFZSA-N -1 3 501.671 5.854 1 0 in-vitro KKAFHM C[C@@H](C(=O)NCc1ccccc1-c1nnn[n-]1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804767 561731335 /nfs/dbraw/zinc/73/13/35/561731335.db2.gz FQWAVMRFISHXBT-HXUWFJFHSA-N -1 3 514.589 5.567 1 0 KKAFHM C[C@@H](C(=O)NCc1ccccc1-c1nn[n-]n1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1 ZINC000013804767 561731337 /nfs/dbraw/zinc/73/13/37/561731337.db2.gz FQWAVMRFISHXBT-HXUWFJFHSA-N -1 3 514.589 5.567 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2Cl)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013825649 561733035 /nfs/dbraw/zinc/73/30/35/561733035.db2.gz YFVBMRHGEXLHQG-UHFFFAOYSA-N -1 3 516.074 6.462 1 0 KKAFHM CCCCc1nnc(SCc2ccccc2Cl)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013825649 561733036 /nfs/dbraw/zinc/73/30/36/561733036.db2.gz YFVBMRHGEXLHQG-UHFFFAOYSA-N -1 3 516.074 6.462 1 0 KKAFHM O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)C1c2cccc([O-])c2C(=O)c2c(O)cccc21 ZINC000013862172 561734772 /nfs/dbraw/zinc/73/47/72/561734772.db2.gz UNYGXWPCGNCTAQ-UHFFFAOYSA-N -1 3 504.369 6.636 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000014278359 561738966 /nfs/dbraw/zinc/73/89/66/561738966.db2.gz NWZKTKOLUPTTPG-NDEPHWFRSA-N -1 3 577.645 5.015 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC(C(=O)OCC)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000014278359 561738968 /nfs/dbraw/zinc/73/89/68/561738968.db2.gz NWZKTKOLUPTTPG-NDEPHWFRSA-N -1 3 577.645 5.015 1 0 KKAFHM O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3ncc(-c4nnn[n-]4)cc3-c3ccccc3)cc2)CC1 ZINC000014957988 561748119 /nfs/dbraw/zinc/74/81/19/561748119.db2.gz INUGOQWCVGGZKS-UHFFFAOYSA-N -1 3 528.620 5.076 1 0 KKAFHM O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3ncc(-c4nn[n-]n4)cc3-c3ccccc3)cc2)CC1 ZINC000014957988 561748121 /nfs/dbraw/zinc/74/81/21/561748121.db2.gz INUGOQWCVGGZKS-UHFFFAOYSA-N -1 3 528.620 5.076 1 0 KKAFHM CC(C)(C)c1ccc(CNC(=S)N[C@@H](Cc2ccccc2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000014973371 561752026 /nfs/dbraw/zinc/75/20/26/561752026.db2.gz QZHYGUFQKPLWOR-VWLOTQADSA-N -1 3 513.704 5.443 1 0 in-vitro KKAFHM C[C@@H](OC[C@@H](c1ccccc1)N1CCN(CC(=O)[O-])CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000022927007 561759723 /nfs/dbraw/zinc/75/97/23/561759723.db2.gz WOLHPOWZBHRGTD-IERDGZPVSA-N -1 3 504.471 5.245 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCSc1ccc(Cl)c(Cl)c1 ZINC000026152739 561767809 /nfs/dbraw/zinc/76/78/09/561767809.db2.gz PNTJLCVETNUMNP-SVBPBHIXSA-N -1 3 695.662 8.815 1 0 KKAFHM CC[C@H](c1ccc([O-])c(I)c1)[C@H](CC)c1ccc(O)c(I)c1 ZINC000025963443 561762866 /nfs/dbraw/zinc/76/28/66/561762866.db2.gz JHLLTEJRPPJGGQ-ZIAGYGMSSA-N -1 3 522.164 5.994 1 0 KKAFHM Cc1c2c(c(C)c(OCc3ccccc3)c1C)[C@H](CN(C)CCOc1ccc(C=C3SC(=O)[N-]C3=O)cc1)C(C)(C)O2 ZINC000025964457 561763042 /nfs/dbraw/zinc/76/30/42/561763042.db2.gz DKTFEUJGLCUSHM-ZNBSHBAVSA-N -1 3 586.754 6.780 1 0 KKAFHM O=C1[N-]C(=O)c2cc(Nc3ccc(I)cc3)c(Nc3ccc(I)cc3)cc21 ZINC000025975783 561763473 /nfs/dbraw/zinc/76/34/73/561763473.db2.gz PZKMVVUAVPOFPD-UHFFFAOYSA-N -1 3 581.151 5.267 1 0 KKAFHM CCCCCN(CCCCC)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000025995525 561765096 /nfs/dbraw/zinc/76/50/96/561765096.db2.gz OHRCIWHHGVOLAK-JPHFWNGBSA-N -1 3 538.685 5.474 1 0 KKAFHM CCCCc1nn(C[C@@H](OCc2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026276606 561778308 /nfs/dbraw/zinc/77/83/08/561778308.db2.gz RZITYYAFNHFVJH-JGCGQSQUSA-N -1 3 585.712 6.241 1 0 KKAFHM CCCCc1nn(C[C@@H](OCc2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026276606 561778309 /nfs/dbraw/zinc/77/83/09/561778309.db2.gz RZITYYAFNHFVJH-JGCGQSQUSA-N -1 3 585.712 6.241 1 0 KKAFHM CCCCc1nn(C[C@H](OCc2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026276613 561778326 /nfs/dbraw/zinc/77/83/26/561778326.db2.gz RZITYYAFNHFVJH-YTTGMZPUSA-N -1 3 585.712 6.241 1 0 KKAFHM CCCCc1nn(C[C@H](OCc2ccccc2)c2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026276613 561778327 /nfs/dbraw/zinc/77/83/27/561778327.db2.gz RZITYYAFNHFVJH-YTTGMZPUSA-N -1 3 585.712 6.241 1 0 KKAFHM O=CN([O-])[C@@H](CSc1cccs1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 ZINC000026387648 561784751 /nfs/dbraw/zinc/78/47/51/561784751.db2.gz SZXOIWIFZQPGPC-HNNXBMFYSA-N -1 3 533.571 5.221 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)OC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026398573 561787770 /nfs/dbraw/zinc/78/77/70/561787770.db2.gz NKCMAGUKZSGQQW-UHFFFAOYSA-N -1 3 556.579 5.006 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)OC(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026398573 561787771 /nfs/dbraw/zinc/78/77/71/561787771.db2.gz NKCMAGUKZSGQQW-UHFFFAOYSA-N -1 3 556.579 5.006 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026400390 561788180 /nfs/dbraw/zinc/78/81/80/561788180.db2.gz DGZLOEDRQOBBFN-LJQANCHMSA-N -1 3 582.617 5.539 1 0 KKAFHM CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026400390 561788181 /nfs/dbraw/zinc/78/81/81/561788181.db2.gz DGZLOEDRQOBBFN-LJQANCHMSA-N -1 3 582.617 5.539 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026403274 561788866 /nfs/dbraw/zinc/78/88/66/561788866.db2.gz MDLMYYHLFIAVIW-UHFFFAOYSA-N -1 3 554.607 5.034 1 0 KKAFHM CCOc1nc2cccc(C(=O)OCOC(=O)C(C)(C)C)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026403274 561788867 /nfs/dbraw/zinc/78/88/67/561788867.db2.gz MDLMYYHLFIAVIW-UHFFFAOYSA-N -1 3 554.607 5.034 1 0 KKAFHM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(-c2nnn[n-]2)cc1 ZINC000026569028 561797594 /nfs/dbraw/zinc/79/75/94/561797594.db2.gz DNDNLFXKQSTINI-IZLXSDGUSA-N -1 3 584.721 5.965 1 0 KKAFHM COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@H]3CC=CC[C@@H]23)cc1OCCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000026569028 561797596 /nfs/dbraw/zinc/79/75/96/561797596.db2.gz DNDNLFXKQSTINI-IZLXSDGUSA-N -1 3 584.721 5.965 1 0 KKAFHM CCCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579299 561804480 /nfs/dbraw/zinc/80/44/80/561804480.db2.gz OIHSATBFUDNTBQ-JGCGQSQUSA-N -1 3 615.738 6.367 1 0 KKAFHM CCCCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579299 561804481 /nfs/dbraw/zinc/80/44/81/561804481.db2.gz OIHSATBFUDNTBQ-JGCGQSQUSA-N -1 3 615.738 6.367 1 0 KKAFHM CCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579751 561805206 /nfs/dbraw/zinc/80/52/06/561805206.db2.gz YMMJJDOWCKHVBZ-SSEXGKCCSA-N -1 3 587.684 5.587 1 0 KKAFHM CCCc1nc2ccn([C@@H](C(=O)OC(C)C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579751 561805208 /nfs/dbraw/zinc/80/52/08/561805208.db2.gz YMMJJDOWCKHVBZ-SSEXGKCCSA-N -1 3 587.684 5.587 1 0 KKAFHM O=C(Nc1ccc(C(=O)N2C[C@H]3COCCN3Cc3ccccc32)c(Cl)c1)c1ccc([O-])cc1-c1ccccc1 ZINC000026658885 561810099 /nfs/dbraw/zinc/81/00/99/561810099.db2.gz KRNFPVYITPSSLI-DEOSSOPVSA-N -1 3 554.046 5.826 1 0 KKAFHM CO[P@]([O-])(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)=NC(=O)Cc1c(C(C)C)cccc1C(C)C ZINC000026740804 561818137 /nfs/dbraw/zinc/81/81/37/561818137.db2.gz FEOBDPHFMATSSO-PSXMRANNSA-N -1 3 513.703 9.002 1 0 KKAFHM CO[P@](=O)(Cc1c(C(C)C)cc(C(C)C)cc1C(C)C)[N-]C(=O)Cc1c(C(C)C)cccc1C(C)C ZINC000026740804 561818139 /nfs/dbraw/zinc/81/81/39/561818139.db2.gz FEOBDPHFMATSSO-PSXMRANNSA-N -1 3 513.703 9.002 1 0 KKAFHM CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OCCC)cc1 ZINC000026974508 561830644 /nfs/dbraw/zinc/83/06/44/561830644.db2.gz DPADGXFJBCNLKG-XUEBXJBISA-N -1 3 588.767 5.277 1 0 KKAFHM CCCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027184666 561842303 /nfs/dbraw/zinc/84/23/03/561842303.db2.gz ZBPMXOPYCCNSKO-UHFFFAOYSA-N -1 3 575.500 7.136 1 0 KKAFHM CCCCc1nn(-c2c(Cl)cccc2Cl)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027184666 561842304 /nfs/dbraw/zinc/84/23/04/561842304.db2.gz ZBPMXOPYCCNSKO-UHFFFAOYSA-N -1 3 575.500 7.136 1 0 KKAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(CC)cc1 ZINC000027312291 561850881 /nfs/dbraw/zinc/85/08/81/561850881.db2.gz HGAJVFNBZHLNNH-RKJPZGCHSA-N -1 3 522.686 5.290 1 0 KKAFHM O=C([O-])C[C@H]1c2ccccc2C(=O)N(CCNCc2ccc(NC(=O)NCc3ccccc3)cc2)c2ccccc21 ZINC000027517709 561861447 /nfs/dbraw/zinc/86/14/47/561861447.db2.gz HNZLLKISVUFRRU-LJAQVGFWSA-N -1 3 548.643 5.365 1 0 KKAFHM Cc1cccc(C(=O)Nc2ccc3c(c2)C[C@H](C[N-]S(=O)(=O)c2cccs2)C3)c1-c1ccc(C(F)(F)F)cc1 ZINC000027524651 561865817 /nfs/dbraw/zinc/86/58/17/561865817.db2.gz IECYXABIVIGSDE-LJQANCHMSA-N -1 3 570.658 6.688 1 0 KKAFHM COc1ccc(NC(=O)[N-]c2nc3nn(CCc4cccc5ccccc54)cc3c3nc(-c4ccco4)nn32)cc1 ZINC000027547336 561867066 /nfs/dbraw/zinc/86/70/66/561867066.db2.gz VQYJAIHIXOQQPT-UHFFFAOYSA-N -1 3 544.575 5.783 1 0 KKAFHM CC[C@H](c1ccc(I)c([O-])c1)[C@H](CC)c1ccc(I)c(O)c1 ZINC000027656700 561877694 /nfs/dbraw/zinc/87/76/94/561877694.db2.gz IFDBJFMTCFXUMA-ZIAGYGMSSA-N -1 3 522.164 5.994 1 0 KKAFHM CCCCc1ccc(CNC(=O)OC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027734200 561881588 /nfs/dbraw/zinc/88/15/88/561881588.db2.gz RIXNAEWADQASCA-UHFFFAOYSA-N -1 3 514.630 5.111 1 0 KKAFHM CCCCc1ccc(CNC(=O)OC(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027734200 561881590 /nfs/dbraw/zinc/88/15/90/561881590.db2.gz RIXNAEWADQASCA-UHFFFAOYSA-N -1 3 514.630 5.111 1 0 KKAFHM CCCCc1ccc(CNCc2ccccc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027734596 561881713 /nfs/dbraw/zinc/88/17/13/561881713.db2.gz ZUDMJEHDXNDJCN-UHFFFAOYSA-N -1 3 504.638 5.376 1 0 KKAFHM CCCCc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027737202 561882037 /nfs/dbraw/zinc/88/20/37/561882037.db2.gz FIPDYIAKUQIHIM-UHFFFAOYSA-N -1 3 582.730 5.215 1 0 KKAFHM CCCCc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027737202 561882038 /nfs/dbraw/zinc/88/20/38/561882038.db2.gz FIPDYIAKUQIHIM-UHFFFAOYSA-N -1 3 582.730 5.215 1 0 KKAFHM CCCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028018192 561897885 /nfs/dbraw/zinc/89/78/85/561897885.db2.gz ZQNRQPVANIYXJD-UHFFFAOYSA-N -1 3 541.615 5.497 1 0 KKAFHM CCCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028018192 561897887 /nfs/dbraw/zinc/89/78/87/561897887.db2.gz ZQNRQPVANIYXJD-UHFFFAOYSA-N -1 3 541.615 5.497 1 0 KKAFHM C/C(=C\c1ccc(C(=O)OCCCCc2c[nH]c(=S)[n-]c2=O)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000028100676 561901521 /nfs/dbraw/zinc/90/15/21/561901521.db2.gz UIHHOOZIXIZORI-DYTRJAOYSA-N -1 3 530.734 7.522 1 0 KKAFHM O=C([O-])[C@H](CCC1CCN(C[C@H]2C[N@@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028236160 561909658 /nfs/dbraw/zinc/90/96/58/561909658.db2.gz ADFRLQLNMJKEBV-YJKLBIRBSA-N -1 3 554.678 5.594 1 0 KKAFHM O=C([O-])[C@H](CCC1CCN(C[C@H]2C[N@H+]([C@H](CC3CC3)C(=O)[O-])C[C@@H]2c2cccc(F)c2)CC1)c1ccc(F)cc1 ZINC000028236160 561909660 /nfs/dbraw/zinc/90/96/60/561909660.db2.gz ADFRLQLNMJKEBV-YJKLBIRBSA-N -1 3 554.678 5.594 1 0 KKAFHM COc1ccc(C(=O)[O-])c(OCCN2CCC(c3cn(Cc4ccc(Cl)s4)c4ccccc34)CC2)c1 ZINC000028369941 561918247 /nfs/dbraw/zinc/91/82/47/561918247.db2.gz QWBBNLGQPSILGM-UHFFFAOYSA-N -1 3 525.070 6.370 1 0 KKAFHM O=C(CCN1CCC(O)CC1)CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-] ZINC000028379156 561919847 /nfs/dbraw/zinc/91/98/47/561919847.db2.gz QTSMYNTYQCWCES-UHFFFAOYSA-N -1 3 540.991 5.081 1 0 KKAFHM C[C@@H]1CN([C@H](c2ccc3c(c2)CN(Cc2ccccc2C(=O)[O-])C3)c2cccc(O)c2)[C@@H](C)CN1Cc1ccccc1 ZINC000028570782 561938966 /nfs/dbraw/zinc/93/89/66/561938966.db2.gz DVNSBOKSVWETDR-AWYDNWMNSA-N -1 3 561.726 6.290 1 0 KKAFHM COc1cccc([C@@H](c2ccc3c(c2)CN(CCC(=O)[O-])C3)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c1 ZINC000028568899 561937515 /nfs/dbraw/zinc/93/75/15/561937515.db2.gz JBRMBTUADMJWQH-FXZPAHAQSA-N -1 3 513.682 5.170 1 0 KKAFHM CCCCC(=O)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)C[C@@H]1C(=O)[N-]c1cc(C)no1 ZINC000028569068 561937692 /nfs/dbraw/zinc/93/76/92/561937692.db2.gz CGLDQNAZWLLHQY-KCWPFWIISA-N -1 3 600.945 5.324 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2ccc([C@@H](C)O[N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028571689 561939371 /nfs/dbraw/zinc/93/93/71/561939371.db2.gz HNCKXBOSPHDIEY-HXUWFJFHSA-N -1 3 616.078 6.401 1 0 KKAFHM CCCCc1nc(Cl)c(COC(=O)c2ccc([C@@H](C)O[N+](=O)[O-])cc2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028571689 561939372 /nfs/dbraw/zinc/93/93/72/561939372.db2.gz HNCKXBOSPHDIEY-HXUWFJFHSA-N -1 3 616.078 6.401 1 0 KKAFHM CS(=O)(=O)[N-]c1nc([C@@H](CCN2CCC(c3ccccc3)CC2)C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cs1 ZINC000028702830 561947337 /nfs/dbraw/zinc/94/73/37/561947337.db2.gz LABJUYGFTREJOE-HSZRJFAPSA-N -1 3 648.695 6.222 1 0 KKAFHM CCCCC(=O)Nc1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c(=O)c2c1 ZINC000028757601 561956960 /nfs/dbraw/zinc/95/69/60/561956960.db2.gz IQIGBUKVWIOKAY-UHFFFAOYSA-N -1 3 535.652 5.763 1 0 KKAFHM CCCCC(=O)Nc1ccc2nc(CCCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c(=O)c2c1 ZINC000028757601 561956962 /nfs/dbraw/zinc/95/69/62/561956962.db2.gz IQIGBUKVWIOKAY-UHFFFAOYSA-N -1 3 535.652 5.763 1 0 KKAFHM COc1ccc([N-]c2nnc(CN(c3cccc(Cl)c3Cl)S(=O)(=O)c3ccc(C)cc3)o2)cc1 ZINC000028823393 561967948 /nfs/dbraw/zinc/96/79/48/561967948.db2.gz NNVXVKSYLKFMEI-UHFFFAOYSA-N -1 3 519.410 5.833 1 0 KKAFHM COc1cc(CNC(=S)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1[O-] ZINC000028881437 561976920 /nfs/dbraw/zinc/97/69/20/561976920.db2.gz IJHLXAOFDUUINS-HXUWFJFHSA-N -1 3 579.601 5.873 1 0 KKAFHM COc1cc(CNC(=S)N[C@H](CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)cc(I)c1[O-] ZINC000028881737 561976972 /nfs/dbraw/zinc/97/69/72/561976972.db2.gz PPVRBYRABRHCHT-HXUWFJFHSA-N -1 3 598.547 5.177 1 0 KKAFHM CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](C(=O)[O-])[C@]2(C/C=C(/C)CCC=C(C)C)c3ccccc3N[C@H]12 ZINC000028888011 561977926 /nfs/dbraw/zinc/97/79/26/561977926.db2.gz QNZUAFLPNVMXEF-NMEDYXILSA-N -1 3 600.804 5.403 1 0 KKAFHM Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000028978826 561988052 /nfs/dbraw/zinc/98/80/52/561988052.db2.gz VTQQAGVCNYLJKB-UHFFFAOYSA-N -1 3 545.608 6.177 1 0 KKAFHM CC[C@@H](OC(=O)C=Cc1ccccc1)c1nc2c(cccc2C(F)(F)F)c([O-])c1C(=O)Nc1nccs1 ZINC000029237053 562009723 /nfs/dbraw/zinc/00/97/23/562009723.db2.gz FIYBDGDHQKAAGT-IENJSVCTSA-N -1 3 527.524 5.963 1 0 KKAFHM CCCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029314840 562012316 /nfs/dbraw/zinc/01/23/16/562012316.db2.gz RRPVQZQXENNPPY-UHFFFAOYSA-N -1 3 512.617 6.018 1 0 KKAFHM CCCC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029314840 562012318 /nfs/dbraw/zinc/01/23/18/562012318.db2.gz RRPVQZQXENNPPY-UHFFFAOYSA-N -1 3 512.617 6.018 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@@H](C)OC(C)=O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029317699 562012589 /nfs/dbraw/zinc/01/25/89/562012589.db2.gz VQBBECQRJRWXRB-SFHVURJKSA-N -1 3 562.030 5.117 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@@H](C)OC(C)=O)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029317699 562012591 /nfs/dbraw/zinc/01/25/91/562012591.db2.gz VQBBECQRJRWXRB-SFHVURJKSA-N -1 3 562.030 5.117 1 0 KKAFHM CCCCc1nc2ccc([C@]3(c4ccccc4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029409187 562021308 /nfs/dbraw/zinc/02/13/08/562021308.db2.gz YAEFGMXDFSUHOL-UKZNZPTOSA-N -1 3 623.761 6.678 1 0 KKAFHM CCCCc1nc2ccc([C@]3(c4ccccc4)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029409187 562021310 /nfs/dbraw/zinc/02/13/10/562021310.db2.gz YAEFGMXDFSUHOL-UKZNZPTOSA-N -1 3 623.761 6.678 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CC(c4cc(C)co4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029409568 562021495 /nfs/dbraw/zinc/02/14/95/562021495.db2.gz FVGFVEFWKKIOHF-SSEXGKCCSA-N -1 3 585.668 6.402 1 0 KKAFHM CCCCc1nc2ccc([C@H]3CC(c4cc(C)co4)=NO3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029409568 562021496 /nfs/dbraw/zinc/02/14/96/562021496.db2.gz FVGFVEFWKKIOHF-SSEXGKCCSA-N -1 3 585.668 6.402 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029411510 562021811 /nfs/dbraw/zinc/02/18/11/562021811.db2.gz NGHUUCYVFJXEDU-SFRLIIPVSA-N -1 3 575.717 6.040 1 0 KKAFHM CCCCc1nc2ccc([C@]3(C)C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029411510 562021813 /nfs/dbraw/zinc/02/18/13/562021813.db2.gz NGHUUCYVFJXEDU-SFRLIIPVSA-N -1 3 575.717 6.040 1 0 KKAFHM CCCCc1nc2ccc(-c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029412674 562022037 /nfs/dbraw/zinc/02/20/37/562022037.db2.gz LBXRCFQRRDANKK-UHFFFAOYSA-N -1 3 502.578 5.895 1 0 KKAFHM CCCCc1nc2ccc(-c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029412674 562022039 /nfs/dbraw/zinc/02/20/39/562022039.db2.gz LBXRCFQRRDANKK-UHFFFAOYSA-N -1 3 502.578 5.895 1 0 KKAFHM CCCC[C@@]1(CC)CC(=O)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029474216 562026049 /nfs/dbraw/zinc/02/60/49/562026049.db2.gz RYERKVPGOJTKRK-LPEFSEJTSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCC[C@@]1(CC)CC(=O)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)/C(=C/C(=O)OCC)C1 ZINC000029474216 562026051 /nfs/dbraw/zinc/02/60/51/562026051.db2.gz RYERKVPGOJTKRK-LPEFSEJTSA-N -1 3 501.631 5.690 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(CC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029406293 562020693 /nfs/dbraw/zinc/02/06/93/562020693.db2.gz ZPDBFUZSANKQIG-OOXUFLSTSA-N -1 3 575.717 6.040 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(CC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029406293 562020694 /nfs/dbraw/zinc/02/06/94/562020694.db2.gz ZPDBFUZSANKQIG-OOXUFLSTSA-N -1 3 575.717 6.040 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@H]4CCCCCC[C@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029485162 562028119 /nfs/dbraw/zinc/02/81/19/562028119.db2.gz VLMBACPJRXZTNH-PMMLCMNPSA-N -1 3 603.771 6.892 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@H]4CCCCCC[C@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029485162 562028120 /nfs/dbraw/zinc/02/81/20/562028120.db2.gz VLMBACPJRXZTNH-PMMLCMNPSA-N -1 3 603.771 6.892 1 0 KKAFHM CCCS(=O)(=O)c1cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCC[S@](=O)c1ccc([O-])cc1 ZINC000029545521 562029783 /nfs/dbraw/zinc/02/97/83/562029783.db2.gz MXCWFRGNHBTWKI-AKYMQWEESA-N -1 3 634.769 5.390 1 0 KKAFHM CCCCN([O-])C(=O)Nc1cc([C@@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc(OC)c1OCCS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000029570186 562035460 /nfs/dbraw/zinc/03/54/60/562035460.db2.gz ZERPXBIRFNQGSC-ZEQRLZLVSA-N -1 3 730.730 6.746 1 0 KKAFHM CCCCc1nc(C)c(CC(=S)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000034002405 562037921 /nfs/dbraw/zinc/03/79/21/562037921.db2.gz GAHKWYRNJAQLHS-UHFFFAOYSA-N -1 3 529.714 5.001 1 0 KKAFHM CCCCc1nc(C)c(CC(=S)N(CC)CC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000034002405 562037922 /nfs/dbraw/zinc/03/79/22/562037922.db2.gz GAHKWYRNJAQLHS-UHFFFAOYSA-N -1 3 529.714 5.001 1 0 KKAFHM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1 ZINC000036324233 562055319 /nfs/dbraw/zinc/05/53/19/562055319.db2.gz BZPPUKJKOJHWKN-XJABCFGWSA-N -1 3 528.497 5.759 1 0 KKAFHM CN(C)CCOc1c(=O)c2cccc(C(=O)[O-])c2oc1-c1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000038853732 562072421 /nfs/dbraw/zinc/07/24/21/562072421.db2.gz SSYNNLDXXKJXAP-UHFFFAOYSA-N -1 3 510.546 5.226 1 0 KKAFHM COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1C(=NCC4)Cc1ccc(cc1)Oc1cc(ccc1[O-])C[C@H]3N(C)CC2 ZINC000042807525 560085771 /nfs/dbraw/zinc/08/57/71/560085771.db2.gz FKHCVUFZOFEROS-MUUNZHRXSA-N -1 3 592.692 6.676 1 0 biogenic,in-vitro KKAFHM S=c1[n-]nc(CO[C@H](Cn2nnc(-c3ccccc3)n2)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 ZINC000044418312 562657280 /nfs/dbraw/zinc/65/72/80/562657280.db2.gz FROSMPUGYSQYPE-OAQYLSRUSA-N -1 3 524.437 5.474 1 0 KKAFHM COc1ccc(C(OCCNCc2ccc(F)c([O-])c2F)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000044418400 562657313 /nfs/dbraw/zinc/65/73/13/562657313.db2.gz VXXIFIVVSIXQML-UHFFFAOYSA-N -1 3 535.587 5.795 1 0 KKAFHM CC(C)CC[C@H](c1ccc(C(F)(F)F)cn1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045370382 562662200 /nfs/dbraw/zinc/66/22/00/562662200.db2.gz CJPKIMTXCPNLRP-ZQMYSKGWSA-N -1 3 516.526 7.525 1 0 KKAFHM CN1CCc2cc(Cl)c([O-])cc2[C@H]2c3ccc(NC(=O)Nc4c(Cl)cccc4Cl)cc3CC[C@@H]21 ZINC000045371495 562662231 /nfs/dbraw/zinc/66/22/31/562662231.db2.gz DBFSWXFALPMOGP-LADGPHEKSA-N -1 3 516.856 6.931 1 0 KKAFHM CCCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN(Cc2ccc(NC(C)=O)s2)CC3)cc1 ZINC000049019484 562663340 /nfs/dbraw/zinc/66/33/40/562663340.db2.gz UOAUSRFWBALLMN-UHFFFAOYSA-N -1 3 511.713 5.451 1 0 KKAFHM O=C(Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1)Nc1cc(C(F)(F)F)ccc1[O-] ZINC000049021925 562663393 /nfs/dbraw/zinc/66/33/93/562663393.db2.gz OCOHRESDZFYIIC-UHFFFAOYSA-N -1 3 519.487 5.772 1 0 KKAFHM CCN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccnc3c(-c4ccc(F)c([O-])c4)c(-c4ccncc4)nn32)cc1 ZINC000049033754 562663443 /nfs/dbraw/zinc/66/34/43/562663443.db2.gz FBJYRNGBDFBGRM-ZEQRLZLVSA-N -1 3 506.585 5.253 1 0 KKAFHM CCCCN1CCN(c2cc([N-]S(=O)(=O)c3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)ccc2OC)CC1 ZINC000049625915 562666901 /nfs/dbraw/zinc/66/69/01/562666901.db2.gz HSJLDURWDGTKRQ-UHFFFAOYSA-N -1 3 590.668 5.689 1 0 KKAFHM COc1ccc([C@@H](CC[N-]S(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC ZINC000049677765 562668324 /nfs/dbraw/zinc/66/83/24/562668324.db2.gz XWEJKOCDJCMFCN-UFHPHHKVSA-N -1 3 674.845 5.354 1 0 KKAFHM C[C@@H](C(=O)[O-])c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000049695515 562670657 /nfs/dbraw/zinc/67/06/57/562670657.db2.gz AVNLUJALSLNPNX-XMMPIXPASA-N -1 3 596.089 8.650 1 0 KKAFHM Cc1ccc(S(=O)(=O)NN=c2nc(-c3ccccc3)[n-]c3c2[C@H]2CCCN2C(=O)N3c2ccccc2)cc1 ZINC000049722861 562672616 /nfs/dbraw/zinc/67/26/16/562672616.db2.gz ZOELSMJIMMTVLA-HSZRJFAPSA-N -1 3 526.622 5.166 1 0 KKAFHM CC(C)(C)OC(=O)NCc1ccc([N-]c2nnc(-c3cccc(C(=O)NCCC(c4ccccc4)c4ccccc4)c3)o2)cc1 ZINC000049722913 562672700 /nfs/dbraw/zinc/67/27/00/562672700.db2.gz XRDFKYCIOIPOFJ-UHFFFAOYSA-N -1 3 603.723 7.457 1 0 KKAFHM O=C([O-])Cc1ccc2cc(CCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)oc2c1 ZINC000049723272 562673156 /nfs/dbraw/zinc/67/31/56/562673156.db2.gz ZCCZMYDWILRCGU-UHFFFAOYSA-N -1 3 592.057 8.609 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2CCc2ccc(-c4ccccc4)cn2)N(Cc2ccc(Cl)cc2)[C@@H](CC(C)(C)Cc2nnn[n-]2)[C@@H]3S1 ZINC000049745672 562674042 /nfs/dbraw/zinc/67/40/42/562674042.db2.gz IEFOGFDMVTYUGG-LKECHTOISA-N -1 3 635.281 8.467 1 0 KKAFHM C[C@@H]1Cc2c3c(ccc2CCc2ccc(-c4ccccc4)cn2)N(Cc2ccc(Cl)cc2)[C@@H](CC(C)(C)Cc2nn[n-]n2)[C@@H]3S1 ZINC000049745672 562674043 /nfs/dbraw/zinc/67/40/43/562674043.db2.gz IEFOGFDMVTYUGG-LKECHTOISA-N -1 3 635.281 8.467 1 0 KKAFHM CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(Oc3ccc(C(=O)[O-])cc3)c1)CC2 ZINC000049757019 562675385 /nfs/dbraw/zinc/67/53/85/562675385.db2.gz SBZPSAGYCNBFET-PMERELPUSA-N -1 3 575.750 5.652 1 0 KKAFHM CC(C)(CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(-c2ccc(Cl)c([O-])c2)c(-c2ccncc2)[nH]1 ZINC000049778059 562680852 /nfs/dbraw/zinc/68/08/52/562680852.db2.gz MMWJADBYULECMM-UHFFFAOYSA-N -1 3 578.544 6.457 1 0 KKAFHM CC(C)(CNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1nc(-c2ccncc2)c(-c2ccc(Cl)c([O-])c2)[nH]1 ZINC000049778059 562680853 /nfs/dbraw/zinc/68/08/53/562680853.db2.gz MMWJADBYULECMM-UHFFFAOYSA-N -1 3 578.544 6.457 1 0 KKAFHM CC(C)(C)c1cc(C(=O)Cn2c3ccc(Br)cc3nc2NCCCO)cc(C(C)(C)C)c1[O-] ZINC000053294879 562697260 /nfs/dbraw/zinc/69/72/60/562697260.db2.gz HAIBPSYJJBSKKY-UHFFFAOYSA-N -1 3 516.480 5.777 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)cc1-c1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328844 562702857 /nfs/dbraw/zinc/70/28/57/562702857.db2.gz YJDKAHLIBWOLRQ-KRWDZBQOSA-N -1 3 550.618 6.600 1 0 KKAFHM COc1cc(CC(=O)NC[C@H](COC(=O)C(C)(C)C)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1[O-] ZINC000064453617 562705657 /nfs/dbraw/zinc/70/56/57/562705657.db2.gz QTGJHORUBMNVER-HXUWFJFHSA-N -1 3 548.518 5.568 1 0 KKAFHM CCCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000064548562 562707836 /nfs/dbraw/zinc/70/78/36/562707836.db2.gz LNBGUQNRAXMITD-CONSDPRKSA-N -1 3 578.713 6.614 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccc2C1=O ZINC000066128618 562712748 /nfs/dbraw/zinc/71/27/48/562712748.db2.gz QILUDTBVFILERX-BATDWUPUSA-N -1 3 624.562 5.285 3 0 KKAFHM Cn1c(C(=O)[O-])cc2cc(NC(=O)[C@]3(NC(=O)c4ccc5c(c4)n(C)c(-c4ccccn4)c5C4CCCCC4)CCCNC3)ccc21 ZINC000071340329 562719705 /nfs/dbraw/zinc/71/97/05/562719705.db2.gz CDWWZLZDMXTRFJ-QNGWXLTQSA-N -1 3 632.765 5.969 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000072127039 562725602 /nfs/dbraw/zinc/72/56/02/562725602.db2.gz YDGJQJIVZCLABT-YZZMFXRHSA-N -1 3 641.834 5.744 3 0 KKAFHM O=C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1)OCc1ccccc1 ZINC000072147840 562729902 /nfs/dbraw/zinc/72/99/02/562729902.db2.gz KAWPTPNZGGTUIV-ZPGRZCPFSA-N -1 3 699.808 6.741 1 0 KKAFHM CO[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c3c(c([O-])c21)[C@@H]1O[C@H](C)[C@@H](C)c2c(C)c(O)c([C@H]4O[C@H](C)[C@@H](C)c5c(C)c(O)cc(O)c54)c(c21)O3 ZINC000072179468 562732334 /nfs/dbraw/zinc/73/23/34/562732334.db2.gz GIHKMCLRUJERAC-UYYIDUGISA-N -1 3 632.750 7.930 1 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccc(F)cc3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073140501 562733628 /nfs/dbraw/zinc/73/36/28/562733628.db2.gz NGCVPNKDVBFMMI-VSGBNLITSA-N -1 3 608.522 7.595 1 0 KKAFHM O=S(=O)([N-]c1cc(-c2ccc3nccc(N4CCN(Cc5ccncc5)CC4)c3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073159002 562733996 /nfs/dbraw/zinc/73/39/96/562733996.db2.gz GHYIOUMBYNIERQ-UHFFFAOYSA-N -1 3 589.096 5.607 1 0 KKAFHM CN(Cc1ccccc1)c1cnc2ccc(-c3cnc(Cl)c([N-]S(=O)(=O)c4ccc(F)cc4)c3)cc2n1 ZINC000073195947 562734978 /nfs/dbraw/zinc/73/49/78/562734978.db2.gz BCKWCRGCXCOSGR-UHFFFAOYSA-N -1 3 534.016 5.922 1 0 KKAFHM O=S(=O)([N-]c1cc(-c2ccc3ncc(NCC4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073195946 562734996 /nfs/dbraw/zinc/73/49/96/562734996.db2.gz CFKJAZFCOSGTBJ-UHFFFAOYSA-N -1 3 526.037 6.277 1 0 KKAFHM CSCC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4cc([O-])ccc4Cl)n3c2)n(-c2cccc(OCCO)c2)n1 ZINC000082157573 562740948 /nfs/dbraw/zinc/74/09/48/562740948.db2.gz IJJNOJGLYJCOHC-UHFFFAOYSA-N -1 3 730.316 7.426 1 0 KKAFHM Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccc([O-])cc4Cl)n3c2)cc1 ZINC000082165047 562741352 /nfs/dbraw/zinc/74/13/52/562741352.db2.gz LSGSDQGGBKSFGW-UHFFFAOYSA-N -1 3 638.197 8.020 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(Br)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000084690631 562749728 /nfs/dbraw/zinc/74/97/28/562749728.db2.gz MEGSHHRTRATOHX-RTWAWAEBSA-N -1 3 564.288 6.607 1 0 KKAFHM O=C([N-]c1nc2nn(CCc3c(Br)cc(Br)cc3Br)cc2c2nc(-c3ccco3)nn21)Nc1cccc(Cl)c1 ZINC000095536838 562754225 /nfs/dbraw/zinc/75/42/25/562754225.db2.gz SSKMNRNNTQWAQF-UHFFFAOYSA-N -1 3 735.622 7.562 1 0 KKAFHM O=C([O-])[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1C[C@@H](NC2CCC2)CN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000095540402 562755706 /nfs/dbraw/zinc/75/57/06/562755706.db2.gz JZVURHUDNORTIE-NYMACZPPSA-N -1 3 729.470 5.033 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(C(F)(F)F)nc2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559215 562762667 /nfs/dbraw/zinc/76/26/67/562762667.db2.gz QPHHSLBLTLBSOS-HFJWLAOPSA-N -1 3 550.543 7.796 1 0 KKAFHM CC(C)(C)C[C@@H](C(=O)[O-])c1ccc([C@H](c2ccc(F)cc2)N2CCCCC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095563553 562763982 /nfs/dbraw/zinc/76/39/82/562763982.db2.gz JYXFSDHTCRNPHC-WDYNHAJCSA-N -1 3 541.629 8.691 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095566297 562764837 /nfs/dbraw/zinc/76/48/37/562764837.db2.gz QMWRRMYICQUONI-DOBRQBTGSA-N -1 3 627.807 5.435 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)O3)cc1 ZINC000095566424 562764951 /nfs/dbraw/zinc/76/49/51/562764951.db2.gz JQXCVRFSCSGTFT-IABYTQIASA-N -1 3 634.626 5.384 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095568660 562766822 /nfs/dbraw/zinc/76/68/22/562766822.db2.gz LRCXRAHVEGXQLE-DOBRQBTGSA-N -1 3 643.806 5.561 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568805 562766884 /nfs/dbraw/zinc/76/68/84/562766884.db2.gz DEMCBGNJFOTASI-SGHJWQDXSA-N -1 3 638.589 5.214 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095568916 562767036 /nfs/dbraw/zinc/76/70/36/562767036.db2.gz YDGJQJIVZCLABT-KXLVQTRWSA-N -1 3 641.834 5.744 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095571125 562768765 /nfs/dbraw/zinc/76/87/65/562768765.db2.gz RFHYGNYQOWNNBL-LFINAOHFSA-N -1 3 736.759 6.730 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)O3)cc1 ZINC000095571248 562768920 /nfs/dbraw/zinc/76/89/20/562768920.db2.gz BTKKALCSURFCKW-DUELTEGESA-N -1 3 633.733 5.096 1 0 KKAFHM COC(=O)[C@H](CCN(C)C)N(C)C(=O)c1c(C)cc(-c2cccc([N-]S(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1C ZINC000095573924 562769783 /nfs/dbraw/zinc/76/97/83/562769783.db2.gz ONGHAXDNZOLURJ-MHZLTWQESA-N -1 3 600.181 5.607 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1cocn1 ZINC000095575227 562770229 /nfs/dbraw/zinc/77/02/29/562770229.db2.gz DQWMVXDLEXWYRO-NTEUORMPSA-N -1 3 595.700 5.422 1 0 KKAFHM COc1ccc(C2=NN(C(=O)c3cc(OC)ccc3[O-])[C@@H](c3ccc(OCc4ccccc4)cc3)C2)cc1 ZINC000095575540 562770351 /nfs/dbraw/zinc/77/03/51/562770351.db2.gz AJQIRNNIQSVXJP-GDLZYMKVSA-N -1 3 508.574 5.980 1 0 KKAFHM Cc1ccc(CC2CCN(c3nc(C(F)(F)F)ccc3CNC(=O)[C@H](C)c3ccc([N-]S(C)(=O)=O)c(F)c3)CC2)cc1 ZINC000095575686 562770371 /nfs/dbraw/zinc/77/03/71/562770371.db2.gz DVAUCZYGVGVZMO-HXUWFJFHSA-N -1 3 606.686 5.798 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCc1ccc(Cl)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095577593 562771015 /nfs/dbraw/zinc/77/10/15/562771015.db2.gz XLXAVXBDWDBUBI-AWEZNQCLSA-N -1 3 558.985 5.296 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=C(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578105 562771186 /nfs/dbraw/zinc/77/11/86/562771186.db2.gz OTSNSLYMBVCSBZ-GOSISDBHSA-N -1 3 576.616 5.325 1 0 KKAFHM CCc1nc2ccn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nnn[n-]3)ccc21 ZINC000095583271 562772890 /nfs/dbraw/zinc/77/28/90/562772890.db2.gz RTDOCGJRLLGHRA-NDEPHWFRSA-N -1 3 527.632 5.500 1 0 KKAFHM CCc1nc2ccn(Cc3ccccc3C)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[n-]n3)ccc21 ZINC000095583271 562772891 /nfs/dbraw/zinc/77/28/91/562772891.db2.gz RTDOCGJRLLGHRA-NDEPHWFRSA-N -1 3 527.632 5.500 1 0 KKAFHM COc1ccc(C(OCCN2C[C@@](O)(c3ccc(OC)cc3)C[C@@H]2CC(=O)[O-])(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 ZINC000095594075 562776395 /nfs/dbraw/zinc/77/63/95/562776395.db2.gz FADFTISNLYTMHU-RYWJPUDZSA-N -1 3 627.734 5.466 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095599620 562778208 /nfs/dbraw/zinc/77/82/08/562778208.db2.gz DVNKZOFDASKPOO-OKUKWLBTSA-N -1 3 806.426 6.903 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095599719 562778289 /nfs/dbraw/zinc/77/82/89/562778289.db2.gz UQRVVYXDOOLUAO-FXRKCPOXSA-N -1 3 723.830 6.573 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600005 562778475 /nfs/dbraw/zinc/77/84/75/562778475.db2.gz UQRVVYXDOOLUAO-IUVSGJEMSA-N -1 3 723.830 6.573 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600438 562778937 /nfs/dbraw/zinc/77/89/37/562778937.db2.gz LFZLAWVTNRSJHJ-MEOLXUPJSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095600507 562778957 /nfs/dbraw/zinc/77/89/57/562778957.db2.gz CBQVGICLIDWTFD-LRZFZUCMSA-N -1 3 620.599 5.075 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600529 562778979 /nfs/dbraw/zinc/77/89/79/562778979.db2.gz UQRVVYXDOOLUAO-OJQFFXEZSA-N -1 3 723.830 6.573 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095600778 562779220 /nfs/dbraw/zinc/77/92/20/562779220.db2.gz HEADYOFXZPTIAZ-QXXCKKGJSA-N -1 3 752.828 6.605 1 0 KKAFHM O=C(C[C@@H]1C[C@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1)NCc1ccc(Oc2ccccc2)cc1 ZINC000095600838 562779291 /nfs/dbraw/zinc/77/92/91/562779291.db2.gz BHEWHBNGLCOXBN-KLJTZFATSA-N -1 3 618.683 5.120 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095600914 562779298 /nfs/dbraw/zinc/77/92/98/562779298.db2.gz ZBBNPLMVFVREHD-WKOYJDCPSA-N -1 3 719.867 6.742 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095601343 562779600 /nfs/dbraw/zinc/77/96/00/562779600.db2.gz ORTMWWQHMCADOR-HOPFVHLTSA-N -1 3 741.178 7.375 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095601710 562779711 /nfs/dbraw/zinc/77/97/11/562779711.db2.gz ZETMRDHMCISLLD-BEAGFIRGSA-N -1 3 764.864 6.474 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095603048 562780384 /nfs/dbraw/zinc/78/03/84/562780384.db2.gz ORTMWWQHMCADOR-NSNSFMLXSA-N -1 3 741.178 7.375 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095604013 562780790 /nfs/dbraw/zinc/78/07/90/562780790.db2.gz KBXMRUCREHCPDM-BWLKTWDLSA-N -1 3 672.288 6.068 1 0 KKAFHM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1ccccc1)OCCCC[C@H](C)O2 ZINC000095605766 562781743 /nfs/dbraw/zinc/78/17/43/562781743.db2.gz BZKXYYWVTPCCEL-FLWJLJKUSA-N -1 3 656.846 5.020 1 0 KKAFHM COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)c4nc5ccccc5n4CCCCOc4ccccc4C(=O)[O-])CC3)(c3ccccc3)C2)cc(OC)c1OC ZINC000095614437 562786623 /nfs/dbraw/zinc/78/66/23/562786623.db2.gz RTZKLQYXUHBGFX-DXQCBLCSSA-N -1 3 788.942 7.388 1 0 KKAFHM CN(C)C[C@H]1CCCCN1CCS(=O)(=O)NCCc1c(CCOc2ccc(C(=O)[O-])cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1 ZINC000095615074 562787077 /nfs/dbraw/zinc/78/70/77/562787077.db2.gz YROVOSXORNPYJN-PGUFJCEWSA-N -1 3 757.397 7.130 1 0 KKAFHM COc1ccc(CN(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4cccs4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095751763 562788849 /nfs/dbraw/zinc/78/88/49/562788849.db2.gz URUYPBZFUNKRKA-VUKRRIEASA-N -1 3 673.898 5.485 1 0 KKAFHM COc1ccc(CN(C)C[C@@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4c(C)noc4C)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095772471 562788949 /nfs/dbraw/zinc/78/89/49/562788949.db2.gz IMAZABZUGRGYGK-ZZGLAUBNSA-N -1 3 686.872 5.028 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095783166 562789069 /nfs/dbraw/zinc/78/90/69/562789069.db2.gz LFZLAWVTNRSJHJ-PVLYCHHLSA-N -1 3 735.866 6.442 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095825676 562789328 /nfs/dbraw/zinc/78/93/28/562789328.db2.gz KHFPDWFEACXBKS-XUKQSAIQSA-N -1 3 678.251 6.214 1 0 KKAFHM O=S(=O)([N-]C1CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1)c1ccccc1F ZINC000096174080 562791638 /nfs/dbraw/zinc/79/16/38/562791638.db2.gz WFQJAKYCRXLZDE-UHFFFAOYSA-N -1 3 581.677 5.135 1 0 KKAFHM COc1ccc(C2(c3n[n-]c4c3[C@H](c3ccccc3OC)N(c3ccc(-c5ccon5)cc3)C4=O)CC2)cc1 ZINC000096177206 562792432 /nfs/dbraw/zinc/79/24/32/562792432.db2.gz GKIWWGQPYVIAHH-NDEPHWFRSA-N -1 3 518.573 5.912 1 0 KKAFHM COc1ccc(C2(c3[n-]nc4c3[C@H](c3ccccc3OC)N(c3ccc(-c5ccon5)cc3)C4=O)CC2)cc1 ZINC000096177206 562792433 /nfs/dbraw/zinc/79/24/33/562792433.db2.gz GKIWWGQPYVIAHH-NDEPHWFRSA-N -1 3 518.573 5.912 1 0 KKAFHM Cc1ccc(Oc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096270909 562793462 /nfs/dbraw/zinc/79/34/62/562793462.db2.gz VVYZUYBPNMTXBD-HNNXBMFYSA-N -1 3 525.524 5.132 1 0 KKAFHM CCCC[C@H](CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270951 562793593 /nfs/dbraw/zinc/79/35/93/562793593.db2.gz ZNSYELSQJFXBLR-LPHOPBHVSA-N -1 3 547.615 5.769 1 0 KKAFHM Cc1ccc(C2=C(C(=O)[N-]c3ccno3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 ZINC000096285843 562795888 /nfs/dbraw/zinc/79/58/88/562795888.db2.gz FFDGBYCTZXREGP-VWLOTQADSA-N -1 3 567.486 6.074 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286080 562795969 /nfs/dbraw/zinc/79/59/69/562795969.db2.gz RILBVWBJTIBBTF-CSLYMUCUSA-N -1 3 547.640 5.702 1 0 KKAFHM CC(C)[C@@H](CN1CCN(c2cccc(O)c2)[C@@H](C)C1)NC(=O)c1ccc(Oc2ccccc2[O-])c(Cl)c1 ZINC000096909590 562799642 /nfs/dbraw/zinc/79/96/42/562799642.db2.gz OBQLXRWCAJNTDR-NBGIEHNGSA-N -1 3 524.061 5.509 1 0 KKAFHM CCN1c2ccc(C(F)(F)F)cc2N(c2ccccc2)C(=O)[C@]2(CCc3c2ccc([O-])c3-c2cnn(C)c2)C1=O ZINC000096922345 562801789 /nfs/dbraw/zinc/80/17/89/562801789.db2.gz DNPPWNJXFINMBD-LJAQVGFWSA-N -1 3 546.549 5.727 1 0 KKAFHM O=S(=O)([N-][C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 ZINC000100420063 562806958 /nfs/dbraw/zinc/80/69/58/562806958.db2.gz ZQRZKMBCCNQODX-LMTLIKQPSA-N -1 3 532.055 5.270 1 0 KKAFHM CCCCc1nc2ccn(C(=O)Nc3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103188308 562815574 /nfs/dbraw/zinc/81/55/74/562815574.db2.gz GLXIKKZOKSIUOH-UHFFFAOYSA-N -1 3 544.619 5.516 1 0 KKAFHM CCCCc1nc2ccn(C(=O)Nc3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103188308 562815575 /nfs/dbraw/zinc/81/55/75/562815575.db2.gz GLXIKKZOKSIUOH-UHFFFAOYSA-N -1 3 544.619 5.516 1 0 KKAFHM CCCCc1nc2ccn(C(=O)N(C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103197180 562815866 /nfs/dbraw/zinc/81/58/66/562815866.db2.gz GMJHZKGPPGXRKT-UHFFFAOYSA-N -1 3 558.646 5.541 1 0 KKAFHM CCCCc1nc2ccn(C(=O)N(C)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103197180 562815867 /nfs/dbraw/zinc/81/58/67/562815867.db2.gz GMJHZKGPPGXRKT-UHFFFAOYSA-N -1 3 558.646 5.541 1 0 KKAFHM C/C1=C\C[C@@H]2C[C@@H](C[C@]3(C[C@@H](O)[C@H](C)[C@@H](C4CCCCC4)O3)O2)OC(=O)c2cc(C)c([O-])cc2/C=C/C=C/[C@H](C)[C@@H]1O ZINC000103216893 562817166 /nfs/dbraw/zinc/81/71/66/562817166.db2.gz LMCIBZKHUIIKIJ-VMBWWQNASA-N -1 3 580.762 6.384 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@H]1c1cccc(Cl)c1F ZINC000103254001 562820602 /nfs/dbraw/zinc/82/06/02/562820602.db2.gz YXQHJKFKRZDXHV-HNXAPSNLSA-N -1 3 620.530 6.290 1 0 KKAFHM O=C(O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1)c1ccc([O-])c(OCC2CC2)c1 ZINC000103260873 562821266 /nfs/dbraw/zinc/82/12/66/562821266.db2.gz IMPXLKKWNSKICE-VWLOTQADSA-N -1 3 610.437 6.652 1 0 KKAFHM CCCCn1c2ccccc2nc1-c1ccc2nn(CCC)c(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c2c1 ZINC000103263787 562821807 /nfs/dbraw/zinc/82/18/07/562821807.db2.gz XRXMDDDFTLKJHL-UHFFFAOYSA-N -1 3 566.713 7.701 1 0 KKAFHM CCCCn1c2ccccc2nc1-c1ccc2nn(CCC)c(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1 ZINC000103263787 562821808 /nfs/dbraw/zinc/82/18/08/562821808.db2.gz XRXMDDDFTLKJHL-UHFFFAOYSA-N -1 3 566.713 7.701 1 0 KKAFHM Cc1ccc(/C=C/n2nc(C(C)(C)C)cc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000113489470 562826625 /nfs/dbraw/zinc/82/66/25/562826625.db2.gz QEHPANKTGQNOOS-JKIKYLSZSA-N -1 3 512.651 5.047 1 0 KKAFHM CN(C)C[C@@H](O)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)cc1 ZINC000114036155 562827064 /nfs/dbraw/zinc/82/70/64/562827064.db2.gz PFLMYODGKHIOEW-AREMUKBSSA-N -1 3 520.004 6.331 1 0 KKAFHM CN(C)C[C@H](O)c1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c([O-])c(Cl)c4)cc32)cc1 ZINC000114036157 562827069 /nfs/dbraw/zinc/82/70/69/562827069.db2.gz PFLMYODGKHIOEW-SANMLTNESA-N -1 3 520.004 6.331 1 0 KKAFHM COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(Nc4ccc(CN(C)C)cc4)c3c2)cc(Cl)c1[O-] ZINC000114037075 562827107 /nfs/dbraw/zinc/82/71/07/562827107.db2.gz UEWITZAKAVQEQW-UHFFFAOYSA-N -1 3 512.031 5.478 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(NCCO)nc4)c3c2)cc(Cl)c1[O-] ZINC000114037609 562827222 /nfs/dbraw/zinc/82/72/22/562827222.db2.gz MJMAWNJOKNEUAY-UHFFFAOYSA-N -1 3 504.974 5.405 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCNCC2)cn1)C1CC1 ZINC000114039140 562827421 /nfs/dbraw/zinc/82/74/21/562827421.db2.gz YKKRYBCFIZSNOR-UHFFFAOYSA-N -1 3 517.992 5.541 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cc(OC(F)(F)F)ccc4-c4ccc(F)c(F)c4F)CC3)OC2=O)cc1 ZINC000114355330 562828101 /nfs/dbraw/zinc/82/81/01/562828101.db2.gz JIXALKQLTZBDEM-UHFFFAOYSA-N -1 3 580.481 6.359 1 0 KKAFHM C[C@@H]1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CC(=O)[O-])CC4)no2)cc1C(F)(F)F ZINC000118855139 562830743 /nfs/dbraw/zinc/83/07/43/562830743.db2.gz RXXGDFABSRPZNI-MRXNPFEDSA-N -1 3 500.521 5.244 1 0 KKAFHM Cc1ccccc1[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138636890 562832103 /nfs/dbraw/zinc/83/21/03/562832103.db2.gz TWARXALIPUGPAR-SANMLTNESA-N -1 3 609.711 6.793 1 0 KKAFHM Cc1ccc(C[C@H](C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000138693617 562832110 /nfs/dbraw/zinc/83/21/10/562832110.db2.gz SUAWQODOSOPHRA-DEOSSOPVSA-N -1 3 606.686 5.798 1 0 KKAFHM CC(C)(C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138722601 562832123 /nfs/dbraw/zinc/83/21/23/562832123.db2.gz ZYHGSNJEPGGHFY-UHFFFAOYSA-N -1 3 547.640 5.630 1 0 KKAFHM Cc1ccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2N2CCC(C)CC2)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000138814581 562832191 /nfs/dbraw/zinc/83/21/91/562832191.db2.gz DFCPEYZSYPMKMJ-SANMLTNESA-N -1 3 592.659 5.604 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cc(C)cs3)cc2[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000142846781 562834353 /nfs/dbraw/zinc/83/43/53/562834353.db2.gz DSWFZZGDYFLCAR-WIOPSUGQSA-N -1 3 597.586 6.108 1 0 KKAFHM CC(C)Oc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c1 ZINC000144504339 562836266 /nfs/dbraw/zinc/83/62/66/562836266.db2.gz WDFXMNIXMDKJAP-UHFFFAOYSA-N -1 3 554.565 6.248 1 0 KKAFHM CC(C)(C)Cn1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c(-c2ccc(F)c(Cl)c2)n1 ZINC000144544890 562836429 /nfs/dbraw/zinc/83/64/29/562836429.db2.gz DSDDGAPUTZGMIC-UHFFFAOYSA-N -1 3 555.050 6.078 1 0 KKAFHM CCC1CCN(c2cc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000145666896 562837474 /nfs/dbraw/zinc/83/74/74/562837474.db2.gz GEWYOIVGTTUNKA-INIZCTEOSA-N -1 3 529.600 5.262 1 0 KKAFHM CCCCCCc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145860344 562837681 /nfs/dbraw/zinc/83/76/81/562837681.db2.gz QPTPIQFMSSSTLB-HNNXBMFYSA-N -1 3 503.562 5.154 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(Cc1ccc3ncccc3c1)CC2 ZINC000146089409 562838268 /nfs/dbraw/zinc/83/82/68/562838268.db2.gz JXNAGSCGTVRAMA-UHFFFAOYSA-N -1 3 518.596 6.134 1 0 KKAFHM COc1cc(OC)cc(-c2cc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)c1 ZINC000146601829 562838729 /nfs/dbraw/zinc/83/87/29/562838729.db2.gz DDXKZMODDZMWCD-HNNXBMFYSA-N -1 3 554.562 5.320 1 0 KKAFHM Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(C(=O)NN3C(=O)/C(=C/c4cc(Br)ccc4[O-])S[C@H]3c3ccc(O)cc3)cc2)cc1 ZINC000150590723 562846171 /nfs/dbraw/zinc/84/61/71/562846171.db2.gz NASRTULLZJHRMO-IEWDVNCESA-N -1 3 731.628 7.495 1 0 KKAFHM CS(=O)(=O)[N-]c1cc(OCC2CC2)cc(C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c1 ZINC000150603115 562847410 /nfs/dbraw/zinc/84/74/10/562847410.db2.gz HFVIXIRCNYJPAT-MHZLTWQESA-N -1 3 687.545 6.318 1 0 KKAFHM CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000169303535 562853196 /nfs/dbraw/zinc/85/31/96/562853196.db2.gz CQFWHUCSXRDQPO-TWVZQSRDSA-N -1 3 566.890 5.630 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc(F)c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324720 562857501 /nfs/dbraw/zinc/85/75/01/562857501.db2.gz MELNUHOOLFARES-UHFFFAOYSA-N -1 3 547.594 5.400 1 0 KKAFHM CCOc1nc2cccc(C(=O)NCc3cccc(F)c3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324720 562857502 /nfs/dbraw/zinc/85/75/02/562857502.db2.gz MELNUHOOLFARES-UHFFFAOYSA-N -1 3 547.594 5.400 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=O)NCc4ccccc4)cc3)[C@H](c3ccccc3)C2)cc1 ZINC000169339678 562860476 /nfs/dbraw/zinc/86/04/76/562860476.db2.gz DIPGETSFQFCCIO-PMERELPUSA-N -1 3 553.688 5.296 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=S)NC4CCCCC4)cc3)[C@@H](c3ccccc3)C2)cc1 ZINC000169339742 562860501 /nfs/dbraw/zinc/86/05/01/562860501.db2.gz TWOPZJKXVFEKDX-GDLZYMKVSA-N -1 3 561.777 5.594 1 0 KKAFHM COc1cc2c(cc1OCCCN1CCN(C)CC1)nccc2Oc1ccc([N-]S(=O)(=O)c2cccc(-c3ccco3)c2)cc1F ZINC000169345212 562861582 /nfs/dbraw/zinc/86/15/82/562861582.db2.gz PEFYXLPKRGWTPZ-UHFFFAOYSA-N -1 3 646.741 6.252 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc([N-]S(=O)(=O)c3ccc(F)cc3)c2F)n1 ZINC000169694674 562865558 /nfs/dbraw/zinc/86/55/58/562865558.db2.gz AFASZXUNTTVSQE-AWEZNQCLSA-N -1 3 618.066 5.300 1 0 KKAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(=O)(=O)c3ccc(F)cc3)c2F)n1 ZINC000169694674 562865559 /nfs/dbraw/zinc/86/55/59/562865559.db2.gz AFASZXUNTTVSQE-AWEZNQCLSA-N -1 3 618.066 5.300 1 0 KKAFHM COCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695721 562865852 /nfs/dbraw/zinc/86/58/52/562865852.db2.gz HKHJBNPXHHONJN-KAYWLYCHSA-N -1 3 505.636 5.637 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696071 562865856 /nfs/dbraw/zinc/86/58/56/562865856.db2.gz TXDPMWWXOKDALZ-FTJBHMTQSA-N -1 3 502.636 5.314 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696073 562865892 /nfs/dbraw/zinc/86/58/92/562865892.db2.gz TXDPMWWXOKDALZ-CLJLJLNGSA-N -1 3 502.636 5.314 1 0 KKAFHM COCCOc1ncccc1[C@H]1C(C(=O)CC(C)(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696277 562865918 /nfs/dbraw/zinc/86/59/18/562865918.db2.gz GGEJOOVCJBQBPQ-ZEQRLZLVSA-N -1 3 506.624 5.114 1 0 KKAFHM COCCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696376 562866026 /nfs/dbraw/zinc/86/60/26/562866026.db2.gz MQKYJLVLBNNQHJ-SVBPBHIXSA-N -1 3 505.636 5.719 1 0 KKAFHM CN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C2CCCC2)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696472 562866090 /nfs/dbraw/zinc/86/60/90/562866090.db2.gz YOZXMYMVGJROFZ-RPBOFIJWSA-N -1 3 500.620 5.149 1 0 KKAFHM CN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C2CCCC2)=C([O-])C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000169696470 562866100 /nfs/dbraw/zinc/86/61/00/562866100.db2.gz YOZXMYMVGJROFZ-DQEYMECFSA-N -1 3 500.620 5.149 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3CCC(=O)NC(C)C)cc2)o1 ZINC000169696554 562866156 /nfs/dbraw/zinc/86/61/56/562866156.db2.gz UMPWSBHQMHQMDQ-WUFINQPMSA-N -1 3 514.622 5.211 1 0 KKAFHM COCCCOc1ncccc1[C@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696676 562866176 /nfs/dbraw/zinc/86/61/76/562866176.db2.gz KSINMFIWFMBYFM-ZEQRLZLVSA-N -1 3 506.624 5.032 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000169696706 562866252 /nfs/dbraw/zinc/86/62/52/562866252.db2.gz VNXPGDTVXDCEJC-AOYPEHQESA-N -1 3 517.651 5.145 1 0 KKAFHM CCOc1ccc(-c2ccc(F)c(F)c2F)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)c1 ZINC000169702643 562868508 /nfs/dbraw/zinc/86/85/08/562868508.db2.gz XXRWKVRMTRIRBD-UHFFFAOYSA-N -1 3 540.538 5.859 1 0 KKAFHM Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Br)c3)cc12 ZINC000199400931 562872942 /nfs/dbraw/zinc/87/29/42/562872942.db2.gz KZEOTEDWPLTTJG-OAQYLSRUSA-N -1 3 605.540 7.407 1 0 KKAFHM Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2ccc(C(=O)N[C@H](C)c3cccc(Br)c3)cc12 ZINC000199400931 562872943 /nfs/dbraw/zinc/87/29/43/562872943.db2.gz KZEOTEDWPLTTJG-OAQYLSRUSA-N -1 3 605.540 7.407 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cc(C)cs3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000202732085 562873795 /nfs/dbraw/zinc/87/37/95/562873795.db2.gz DKLHBHMQVGOHQW-DQEYMECFSA-N -1 3 563.141 5.454 1 0 KKAFHM COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(N5CCN(C)CC5)nc4)c3c2)cc(Cl)c1[O-] ZINC000203802432 562874147 /nfs/dbraw/zinc/87/41/47/562874147.db2.gz XGNPNRIARDNUMX-UHFFFAOYSA-N -1 3 518.017 5.362 1 0 KKAFHM CC(=O)c1c(C)nc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(N2CCN(C)CC2)nc1 ZINC000203796028 562874160 /nfs/dbraw/zinc/87/41/60/562874160.db2.gz HMZWIRDNONHJDT-UHFFFAOYSA-N -1 3 536.463 6.316 1 0 KKAFHM CN1CCC(n2cc(Nc3c(C(=O)C(C)(C)C)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)CC1 ZINC000203989094 562874296 /nfs/dbraw/zinc/87/42/96/562874296.db2.gz ZHKQBMMFKGCFLE-UHFFFAOYSA-N -1 3 536.051 6.836 1 0 KKAFHM CN1CCC=C(c2cc(C(F)(F)F)ccc2-c2cccc3cc(S(=O)(=O)[N-]c4ccncn4)ccc32)C1 ZINC000206165113 562876403 /nfs/dbraw/zinc/87/64/03/562876403.db2.gz PFMADQJLBKAMCP-UHFFFAOYSA-N -1 3 524.568 5.835 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nccn4cc(-c5ccc6ccccc6c5)nc34)cc2)cc1 ZINC000206588634 562876466 /nfs/dbraw/zinc/87/64/66/562876466.db2.gz HMVCPONBXPGAHW-UHFFFAOYSA-N -1 3 505.603 6.402 1 0 KKAFHM O=C(c1cnc2ccc(-c3cc(F)c([O-])c(F)c3)cc2c1Nc1ccc(CN2CCCC2)nc1)C1CC1 ZINC000219363925 562878118 /nfs/dbraw/zinc/87/81/18/562878118.db2.gz QRKKZHNOBHOINS-UHFFFAOYSA-N -1 3 500.549 6.213 1 0 KKAFHM CC1(C)CN(c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)c2c1c(-c1ccc(Cl)cc1)cc(F)c2[O-] ZINC000220382901 562878449 /nfs/dbraw/zinc/87/84/49/562878449.db2.gz GVUUKFIIGJATBT-UHFFFAOYSA-N -1 3 585.985 8.824 1 0 KKAFHM CC(C)(O)c1ccnc(-c2cccc3cc([C@H]([N-]S(=O)(=O)C4CC4)c4c(F)cccc4Cl)sc32)c1 ZINC000224161689 562880417 /nfs/dbraw/zinc/88/04/17/562880417.db2.gz MURUMLKNGZQLAO-DEOSSOPVSA-N -1 3 531.074 6.154 1 0 KKAFHM CCCCN(CCCC)C(=O)[C@H](C)N1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1 ZINC000253633445 562882070 /nfs/dbraw/zinc/88/20/70/562882070.db2.gz MUDAUNJNTOHWSU-BZPPDAAYSA-N -1 3 524.658 5.083 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1=C[C@@H](C)CCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299833930 562886344 /nfs/dbraw/zinc/88/63/44/562886344.db2.gz PGGPQRJFNUXTSW-LSDHHAIUSA-N -1 3 513.557 5.234 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(F)(F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834019 562886403 /nfs/dbraw/zinc/88/64/03/562886403.db2.gz QQZRELFGIGFPBH-CYBMUJFWSA-N -1 3 537.526 5.324 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1[C@H]1CC[C@H](C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834912 562886667 /nfs/dbraw/zinc/88/66/67/562886667.db2.gz WACMEXRQSXAUTA-MBOZVWFJSA-N -1 3 557.654 6.351 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@@H](Cc2ccccc2)C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)cc1F ZINC000299850917 562890681 /nfs/dbraw/zinc/89/06/81/562890681.db2.gz CWNBTLIHJLPQLF-HSZRJFAPSA-N -1 3 609.711 6.679 1 0 KKAFHM CO[N-]C(=O)CCOc1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)n2)c1 ZINC000299859581 562892780 /nfs/dbraw/zinc/89/27/80/562892780.db2.gz FYYMIGQTDDDJNZ-UHFFFAOYSA-N -1 3 509.393 6.308 1 0 KKAFHM COc1cccc(OC)c1-c1cc(CN[C@H](C(=O)[O-])C2CCCCC2)nn1-c1ccnc2cc(Cl)ccc21 ZINC000299869173 562895287 /nfs/dbraw/zinc/89/52/87/562895287.db2.gz UCPIZCJXHXRCNC-NDEPHWFRSA-N -1 3 535.044 5.881 1 0 KKAFHM COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc1)CC2 ZINC000473136417 562901057 /nfs/dbraw/zinc/90/10/57/562901057.db2.gz RDFQYWCPFMTLMP-UHFFFAOYSA-N -1 3 639.696 6.377 1 0 KKAFHM Cc1ccc2c(c1)c(-c1nnn[n-]1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153369 562902009 /nfs/dbraw/zinc/90/20/09/562902009.db2.gz BDEUEKRABOPETA-GDLZYMKVSA-N -1 3 584.471 5.289 1 0 KKAFHM Cc1ccc2c(c1)c(-c1nn[n-]n1)c1n2C[C@@](NC(=O)c2c(Cl)cc(-n3cnnc3)cc2Cl)(c2ccccc2)CC1 ZINC000473153369 562902010 /nfs/dbraw/zinc/90/20/10/562902010.db2.gz BDEUEKRABOPETA-GDLZYMKVSA-N -1 3 584.471 5.289 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1OCc1ccc(F)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473155090 562902368 /nfs/dbraw/zinc/90/23/68/562902368.db2.gz PASMYBFQAZZAIR-OAHLLOKOSA-N -1 3 542.526 5.354 1 0 KKAFHM CN1CCN(C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)CC2)CC1 ZINC000473159271 562902712 /nfs/dbraw/zinc/90/27/12/562902712.db2.gz YUPOZYPDHYXQBQ-UILWBTOOSA-N -1 3 551.106 5.633 1 0 KKAFHM N[C@H](O)c1ccc(Cl)c(-c2ccc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)cc2C(=O)[O-])c1 ZINC000473180346 562903497 /nfs/dbraw/zinc/90/34/97/562903497.db2.gz OPGDPEUJYNJTET-OAQYLSRUSA-N -1 3 505.810 6.752 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1cccc(CCN2CCCC2)c1 ZINC000473213497 562903864 /nfs/dbraw/zinc/90/38/64/562903864.db2.gz QZNPHEDOLUEBNA-UHFFFAOYSA-N -1 3 521.448 6.316 1 0 KKAFHM COc1nn2cc(-c3cc4c(cc(OC)cc4OCc4csc([C@@]([O-])(c5ccc(Cl)cc5)C(F)(F)F)n4)o3)nc2s1 ZINC000653670668 562906152 /nfs/dbraw/zinc/90/61/52/562906152.db2.gz UPWRYEAGKLIQQY-VWLOTQADSA-N -1 3 623.034 6.708 1 0 KKAFHM CCCc1nc2c(cc(C(=S)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653748855 562910534 /nfs/dbraw/zinc/91/05/34/562910534.db2.gz YOKNOJUOHOOMSK-DEOSSOPVSA-N -1 3 585.781 7.261 1 0 KKAFHM CCCc1nc2c(cc(C(=S)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653748855 562910535 /nfs/dbraw/zinc/91/05/35/562910535.db2.gz YOKNOJUOHOOMSK-DEOSSOPVSA-N -1 3 585.781 7.261 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NC[C@H](O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653751555 562910696 /nfs/dbraw/zinc/91/06/96/562910696.db2.gz SJDPXOCKEUCGCI-PMERELPUSA-N -1 3 571.685 5.656 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NC[C@H](O)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653751555 562910697 /nfs/dbraw/zinc/91/06/97/562910697.db2.gz SJDPXOCKEUCGCI-PMERELPUSA-N -1 3 571.685 5.656 1 0 KKAFHM CCCc1nc2c(cc(C(=O)NCCN3CCCC3)cc2C)n1Cc1ccc(-c2ccccc2S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000653751557 562910747 /nfs/dbraw/zinc/91/07/47/562910747.db2.gz UMXDYWASOWPJRM-UHFFFAOYSA-N -1 3 654.837 6.244 1 0 KKAFHM CCSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653758676 562911146 /nfs/dbraw/zinc/91/11/46/562911146.db2.gz PRCRZUBJQQJBJH-QHCPKHFHSA-N -1 3 587.753 6.886 1 0 KKAFHM CCSc1nc2c(cc(C(=O)NC[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653758676 562911147 /nfs/dbraw/zinc/91/11/47/562911147.db2.gz PRCRZUBJQQJBJH-QHCPKHFHSA-N -1 3 587.753 6.886 1 0 KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@]1(C)CC(C)=C[C@@H]2c4c(C)c5c(cc4O[C@](O)(C3=O)[C@@H]21)oc1cc(C)cc(O)c15 ZINC000100772797 571816368 /nfs/dbraw/zinc/81/63/68/571816368.db2.gz QPGYUCLUVQROTF-UFVVPPOHSA-N -1 3 536.580 6.954 1 0 endogenous,in-man KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@]1(C)CC(C)=C[C@@H]2c4c(C)c5c(cc4O[C@](O)(C3=O)[C@H]21)oc1cc(C)cc(O)c15 ZINC000100772795 571816481 /nfs/dbraw/zinc/81/64/81/571816481.db2.gz QPGYUCLUVQROTF-DATWRAFGSA-N -1 3 536.580 6.954 1 0 endogenous,in-man KKAFHM COc1cc2c3c(c1O)Oc1cc4c(cc1OC)CCN=C4Cc1ccc([O-])c(c1)Oc1ccc(cc1)CC3=NCC2 ZINC000085894130 291978393 /nfs/dbraw/zinc/97/83/93/291978393.db2.gz YOHLJCJAHBBOFL-UHFFFAOYSA-N -1 3 562.622 6.189 1 0 biogenic,in-vitro KKAFHM CCCCc1nc2ccn(CC(=O)C(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001536619 561676895 /nfs/dbraw/zinc/67/68/95/561676895.db2.gz QLLMJWABIZKFMU-UHFFFAOYSA-N -1 3 523.641 5.051 1 0 KKAFHM CCCCc1nc2ccn(CC(=O)C(C)(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001536619 561676898 /nfs/dbraw/zinc/67/68/98/561676898.db2.gz QLLMJWABIZKFMU-UHFFFAOYSA-N -1 3 523.641 5.051 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@H]4CCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000001538946 561677081 /nfs/dbraw/zinc/67/70/81/561677081.db2.gz HFSBXIQXFLGAIT-CRFLUJQRSA-N -1 3 561.690 5.721 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@H]4CCC[C@@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000001538946 561677083 /nfs/dbraw/zinc/67/70/83/561677083.db2.gz HFSBXIQXFLGAIT-CRFLUJQRSA-N -1 3 561.690 5.721 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC[C@H]4CCC[C@@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003842576 561683952 /nfs/dbraw/zinc/68/39/52/561683952.db2.gz FMWJXVVDCILAHE-GTTXMTDLSA-N -1 3 560.702 6.655 1 0 KKAFHM CCCCc1nc2ccc([C@@H]3CC[C@H]4CCC[C@@H]4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003842576 561683953 /nfs/dbraw/zinc/68/39/53/561683953.db2.gz FMWJXVVDCILAHE-GTTXMTDLSA-N -1 3 560.702 6.655 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003842574 561683980 /nfs/dbraw/zinc/68/39/80/561683980.db2.gz KDPHUUTUDFDLBT-UHFFFAOYSA-N -1 3 623.742 6.763 1 0 KKAFHM CCc1nc2ccc(N(Cc3ccccc3)C(=O)c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003842574 561683981 /nfs/dbraw/zinc/68/39/81/561683981.db2.gz KDPHUUTUDFDLBT-UHFFFAOYSA-N -1 3 623.742 6.763 1 0 KKAFHM CCCCc1nc2ccc([C@H]3OC[C@@H]4ON5[C@@H](CCC5(C)C)[C@@H]43)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003842996 561684067 /nfs/dbraw/zinc/68/40/67/561684067.db2.gz KRMWQGULLPZCFZ-NIRAYWGMSA-N -1 3 617.754 5.879 1 0 KKAFHM CCCCc1nc2ccc([C@H]3OC[C@@H]4ON5[C@@H](CCC5(C)C)[C@@H]43)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003842996 561684069 /nfs/dbraw/zinc/68/40/69/561684069.db2.gz KRMWQGULLPZCFZ-NIRAYWGMSA-N -1 3 617.754 5.879 1 0 KKAFHM CCOC(=O)O[C@@H](C)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nnn[n-]4)cc3)c21 ZINC000003923560 561686207 /nfs/dbraw/zinc/68/62/07/561686207.db2.gz ITTQCOUEWOQXKP-SFHVURJKSA-N -1 3 556.579 5.006 1 0 KKAFHM CCOC(=O)O[C@@H](C)OC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c21 ZINC000003923560 561686208 /nfs/dbraw/zinc/68/62/08/561686208.db2.gz ITTQCOUEWOQXKP-SFHVURJKSA-N -1 3 556.579 5.006 1 0 KKAFHM COc1c2occc2c(OC)c(C(=O)C[C@@H]2c3c(cc4oc(C)cc(=O)c4c3OC)OC(=N)[C@H]2c2nc3ccccc3[nH]2)c1[O-] ZINC000005543951 561696551 /nfs/dbraw/zinc/69/65/51/561696551.db2.gz RFQPFMXLAHEOKE-GYCJOSAFSA-N -1 3 609.591 5.965 1 0 KKAFHM O=C([O-])CN(CCNC(=O)OCC1c2ccccc2-c2ccccc21)CCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000006006516 561701572 /nfs/dbraw/zinc/70/15/72/561701572.db2.gz VOAULNVCTYOJJN-UHFFFAOYSA-N -1 3 605.691 5.450 1 0 KKAFHM CN(C[C@H]1CCCN(C)C1)C(=O)Cn1c2ccc(C(=O)[O-])cc2c(C2CCCCC2)c1-c1ccccc1 ZINC000013646625 561722689 /nfs/dbraw/zinc/72/26/89/561722689.db2.gz OOBFRGCZAQWSQO-QFIPXVFZSA-N -1 3 501.671 5.854 1 0 KKAFHM Cc1ccc([C@H](OC2CCN(CCCOc3ccc4c(=O)cc(C(=O)[O-])oc4c3)CC2)c2ccccc2)cc1 ZINC000013741954 561726199 /nfs/dbraw/zinc/72/61/99/561726199.db2.gz GLFTVXSDNSCQJU-WJOKGBTCSA-N -1 3 527.617 5.839 1 0 KKAFHM CCCCc1nn(-c2c(Cl)cccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832653 561733639 /nfs/dbraw/zinc/73/36/39/561733639.db2.gz UUYKNTFLYAPMIE-UHFFFAOYSA-N -1 3 520.424 5.579 1 0 KKAFHM CCCCc1nn(-c2c(Cl)cccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832653 561733641 /nfs/dbraw/zinc/73/36/41/561733641.db2.gz UUYKNTFLYAPMIE-UHFFFAOYSA-N -1 3 520.424 5.579 1 0 KKAFHM CCCCc1nn(Cc2cccc3ccccc32)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013832706 561733673 /nfs/dbraw/zinc/73/36/73/561733673.db2.gz FLXRPKSXQBOIGE-UHFFFAOYSA-N -1 3 515.621 5.484 1 0 KKAFHM CCCCc1nn(Cc2cccc3ccccc32)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013832706 561733675 /nfs/dbraw/zinc/73/36/75/561733675.db2.gz FLXRPKSXQBOIGE-UHFFFAOYSA-N -1 3 515.621 5.484 1 0 KKAFHM CCCc1nn(Cc2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013833906 561733936 /nfs/dbraw/zinc/73/39/36/561733936.db2.gz DQARLNOUQUUEOQ-UHFFFAOYSA-N -1 3 506.610 5.499 1 0 KKAFHM CCCc1nn(Cc2ccccc2)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013833906 561733938 /nfs/dbraw/zinc/73/39/38/561733938.db2.gz DQARLNOUQUUEOQ-UHFFFAOYSA-N -1 3 506.610 5.499 1 0 KKAFHM COc1c([O-])c(Br)c2c(c1OC)-c1c(c(Br)c(O)c(OC)c1OC)C[C@@H](C)[C@@H](C)C2 ZINC000014286610 561739227 /nfs/dbraw/zinc/73/92/27/561739227.db2.gz UTFQCHCDBNLMIW-AOOOYVTPSA-N -1 3 546.252 5.695 1 0 KKAFHM COc1c([O-])c(Br)c2c(c1OC)-c1c(c(Br)c(O)c(OC)c1OC)C[C@H](C)[C@H](C)C2 ZINC000014286610 561739229 /nfs/dbraw/zinc/73/92/29/561739229.db2.gz UTFQCHCDBNLMIW-AOOOYVTPSA-N -1 3 546.252 5.695 1 0 KKAFHM C[C@@H](CNc1cccc(S(C)(=O)=O)c1)NC(=O)[C@H](CC1CCCCC1)[N-]c1nc2cccc(Cl)c2o1 ZINC000014971611 561751267 /nfs/dbraw/zinc/75/12/67/561751267.db2.gz AIWUIXXWTABHNR-SBUREZEXSA-N -1 3 533.094 5.252 1 0 KKAFHM C[C@@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000014973154 561751884 /nfs/dbraw/zinc/75/18/84/561751884.db2.gz VUJKAHHLCSGVDB-TZIWHRDSSA-N -1 3 548.721 5.163 1 0 KKAFHM CCCCc1nc(-n2cccc2C(=O)C(F)(F)F)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026384510 561783966 /nfs/dbraw/zinc/78/39/66/561783966.db2.gz JARBJGQGANQMDC-UHFFFAOYSA-N -1 3 577.567 5.443 1 0 KKAFHM CCCCc1nc(-n2cccc2C(=O)C(F)(F)F)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026384510 561783968 /nfs/dbraw/zinc/78/39/68/561783968.db2.gz JARBJGQGANQMDC-UHFFFAOYSA-N -1 3 577.567 5.443 1 0 KKAFHM O=S(=O)([N-]CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)c1ccc(Cl)c(Cl)c1Cl ZINC000026576044 561799890 /nfs/dbraw/zinc/79/98/90/561799890.db2.gz LYGAZEZRPGEYCD-UHFFFAOYSA-N -1 3 605.419 5.637 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC3CCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026579770 561805261 /nfs/dbraw/zinc/80/52/61/561805261.db2.gz GIQZFPOPSNSUBD-XIFFEERXSA-N -1 3 627.749 6.511 1 0 KKAFHM CCCCc1nc2ccn([C@H](C(=O)OC3CCCC3)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026579770 561805263 /nfs/dbraw/zinc/80/52/63/561805263.db2.gz GIQZFPOPSNSUBD-XIFFEERXSA-N -1 3 627.749 6.511 1 0 KKAFHM CCCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026658976 561810073 /nfs/dbraw/zinc/81/00/73/561810073.db2.gz MAJVEPABMWEJIP-UHFFFAOYSA-N -1 3 574.607 6.848 1 0 KKAFHM CCCCc1nn(-c2ccccc2C(F)(F)F)c(C(=O)OCC)c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026658976 561810075 /nfs/dbraw/zinc/81/00/75/561810075.db2.gz MAJVEPABMWEJIP-UHFFFAOYSA-N -1 3 574.607 6.848 1 0 KKAFHM C[C@H]1Cc2c3c(ccc2OCCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nnn[n-]2)c3S1 ZINC000026667950 561811658 /nfs/dbraw/zinc/81/16/58/561811658.db2.gz URJZOGCWXGXYNF-DEOSSOPVSA-N -1 3 649.264 8.388 1 0 KKAFHM C[C@H]1Cc2c3c(ccc2OCCc2ccc(-c4ccccc4)cn2)n(Cc2ccc(Cl)cc2)c(CC(C)(C)Cc2nn[n-]n2)c3S1 ZINC000026667950 561811661 /nfs/dbraw/zinc/81/16/61/561811661.db2.gz URJZOGCWXGXYNF-DEOSSOPVSA-N -1 3 649.264 8.388 1 0 KKAFHM CO[P@@]([O-])(Cc1c(C(C)C)cccc1C(C)C)=NC(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026747789 561819164 /nfs/dbraw/zinc/81/91/64/561819164.db2.gz KMWGEPFAEYOCPZ-BHVANESWSA-N -1 3 513.703 9.002 1 0 KKAFHM CO[P@@](=O)(Cc1c(C(C)C)cccc1C(C)C)[N-]C(=O)Cc1c(C(C)C)cc(C(C)C)cc1C(C)C ZINC000026747789 561819165 /nfs/dbraw/zinc/81/91/65/561819165.db2.gz KMWGEPFAEYOCPZ-BHVANESWSA-N -1 3 513.703 9.002 1 0 KKAFHM CCNC(=O)c1c(C2CC2)nc(CC)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000026837805 561824945 /nfs/dbraw/zinc/82/49/45/561824945.db2.gz HTTNJKRAAFIWRX-UHFFFAOYSA-N -1 3 560.456 5.477 1 0 KKAFHM CCNC(=O)c1c(C2CC2)nc(CC)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000026837805 561824947 /nfs/dbraw/zinc/82/49/47/561824947.db2.gz HTTNJKRAAFIWRX-UHFFFAOYSA-N -1 3 560.456 5.477 1 0 KKAFHM O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)OCc1ccccn1 ZINC000027107127 561840434 /nfs/dbraw/zinc/84/04/34/561840434.db2.gz KKZRCEXYVFUNES-AENKNVQRSA-N -1 3 658.755 5.669 1 0 KKAFHM O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)OCc1ccccn1 ZINC000027106962 561840473 /nfs/dbraw/zinc/84/04/73/561840473.db2.gz LSGSIEQUJWPWQT-AENKNVQRSA-N -1 3 658.755 5.669 1 0 KKAFHM COc1ccc([C@H]2[C@H](C(=O)[O-])[C@@H](c3ccc4c(c3)OCO4)CN2CC(=O)NC2c3ccccc3-c3ccccc32)cc1 ZINC000027195166 561844104 /nfs/dbraw/zinc/84/41/04/561844104.db2.gz LWFFJEUXOGFFKD-FLIPHLSNSA-N -1 3 562.622 5.151 1 0 KKAFHM CCc1nc2c(nc(C)cc2C)n1Cc1ccc(-c2ccccc2C2=N[S@](=O)N(c3ccccc3)[N-]2)cc1 ZINC000027518236 561862081 /nfs/dbraw/zinc/86/20/81/561862081.db2.gz JQHQKNKVFWZKAX-KXQOOQHDSA-N -1 3 520.662 5.676 1 0 KKAFHM CC(C)CC1=C([O-])N(COP(=O)(OCc2ccccc2)OCc2ccccc2)S(=O)(=O)N1CC1C=CC=C1 ZINC000027626427 561873243 /nfs/dbraw/zinc/87/32/43/561873243.db2.gz DGCFYCDTVAXPOR-SANMLTNESA-N -1 3 560.609 5.048 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000027706358 561878838 /nfs/dbraw/zinc/87/88/38/561878838.db2.gz UJAPZKFJPLJYBK-UHFFFAOYSA-N -1 3 583.874 6.460 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000027706358 561878840 /nfs/dbraw/zinc/87/88/40/561878840.db2.gz UJAPZKFJPLJYBK-UHFFFAOYSA-N -1 3 583.874 6.460 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)N(C)C)n1Cc1ccc2oc(-c3ccccc3-c3nnn[n-]3)c(Br)c2c1 ZINC000027656604 561877664 /nfs/dbraw/zinc/87/76/64/561877664.db2.gz HHVGMFXGZNMBGF-UHFFFAOYSA-N -1 3 582.890 5.985 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)N(C)C)n1Cc1ccc2oc(-c3ccccc3-c3nn[n-]n3)c(Br)c2c1 ZINC000027656604 561877666 /nfs/dbraw/zinc/87/76/66/561877666.db2.gz HHVGMFXGZNMBGF-UHFFFAOYSA-N -1 3 582.890 5.985 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])CCC)cc([C@H]2CC[C@@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027714701 561880174 /nfs/dbraw/zinc/88/01/74/561880174.db2.gz VKDCKILJFAYCHV-RTWAWAEBSA-N -1 3 518.607 5.736 1 0 KKAFHM CCCOc1c(NC(=O)N([O-])CCC)cc([C@@H]2CC[C@H](c3cc(OC)c(OC)c(OC)c3)O2)cc1OC ZINC000027714708 561880197 /nfs/dbraw/zinc/88/01/97/561880197.db2.gz VKDCKILJFAYCHV-LEWJYISDSA-N -1 3 518.607 5.736 1 0 KKAFHM COc1cc([O-])c2c(cc3c(c2OC)C(=O)[C@@H](C)[C@@H](C)O3)c1-c1c(OC)cc(OC)c2c1cc1c(c2OC)C(=O)[C@@H](C)[C@@H](C)O1 ZINC000027856637 561886680 /nfs/dbraw/zinc/88/66/80/561886680.db2.gz AVVKNYGJSXHIKG-MWDXBVQZSA-N -1 3 616.663 6.608 1 0 KKAFHM CC(C)O[N-]C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000028240848 561910396 /nfs/dbraw/zinc/91/03/96/561910396.db2.gz KEINCOUPCJLBLZ-UHFFFAOYSA-N -1 3 695.792 7.301 1 0 KKAFHM C[C@@]1(C2CCCC2)Cc2cc(OCCCOc3ccc(-c4nnn[n-]4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028343020 561914323 /nfs/dbraw/zinc/91/43/23/561914323.db2.gz LEAKWMBYOQBYEK-VWLOTQADSA-N -1 3 501.414 5.957 1 0 KKAFHM C[C@@]1(C2CCCC2)Cc2cc(OCCCOc3ccc(-c4nn[n-]n4)cc3)c(Cl)c(Cl)c2C1=O ZINC000028343020 561914325 /nfs/dbraw/zinc/91/43/25/561914325.db2.gz LEAKWMBYOQBYEK-VWLOTQADSA-N -1 3 501.414 5.957 1 0 KKAFHM O=C([O-])c1ccc(Cl)cc1OCCN1CCC(c2cn(Cc3ccc(Cl)s3)c3ccccc23)CC1 ZINC000028360558 561916734 /nfs/dbraw/zinc/91/67/34/561916734.db2.gz VTYOIEAREQDPNK-UHFFFAOYSA-N -1 3 529.489 7.015 1 0 KKAFHM O=C(CCN1CCOCC1)Nc1ccc(Sc2c(=O)[nH]c3ccc(C(F)(F)F)cc3c2-c2cc(Cl)ccc2[O-])cc1 ZINC000028389545 561921919 /nfs/dbraw/zinc/92/19/19/561921919.db2.gz WRJADHIKMKMBGY-UHFFFAOYSA-N -1 3 604.050 6.385 1 0 KKAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000028392925 561922647 /nfs/dbraw/zinc/92/26/47/561922647.db2.gz VLFDLWROXGVVCB-FXTBFKDFSA-N -1 3 609.652 5.635 1 0 KKAFHM Cc1cc2c(cc1-c1cc(C=C3SC(=O)[N-]C3=O)ccc1OC(F)(F)F)C(C(C)C)=CCC2(C)C ZINC000028526171 561931998 /nfs/dbraw/zinc/93/19/98/561931998.db2.gz ULQKNZGALCDFNM-FMCGGJTJSA-N -1 3 501.570 7.605 1 0 KKAFHM CCc1cc(Nc2cc(=O)n(CCCCCN3C[C@H]4CCCN(c5cc6c(cc5F)c(=O)c(C(=O)[O-])cn6CC)[C@@H]4C3)c(=O)[nH]2)ccc1C ZINC000028569509 561938179 /nfs/dbraw/zinc/93/81/79/561938179.db2.gz CHUPOJRARUNHOV-NLGDKJDOSA-N -1 3 672.802 5.094 1 0 KKAFHM CCCCc1nc2cc(C3=NN(Cc4ccc(-c5ccccc5-c5nnn[n-]5)cc4)C(=O)C[C@H]3C)ccc2[nH]1 ZINC000028757877 561957182 /nfs/dbraw/zinc/95/71/82/561957182.db2.gz MCDTVGVGWHNVSX-LJQANCHMSA-N -1 3 518.625 5.525 1 0 KKAFHM CCCCc1nc2cc(C3=NN(Cc4ccc(-c5ccccc5-c5nn[n-]n5)cc4)C(=O)C[C@H]3C)ccc2[nH]1 ZINC000028757877 561957184 /nfs/dbraw/zinc/95/71/84/561957184.db2.gz MCDTVGVGWHNVSX-LJQANCHMSA-N -1 3 518.625 5.525 1 0 KKAFHM COc1cc(/C=C/c2cc([O-])c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000028820053 561965960 /nfs/dbraw/zinc/96/59/60/561965960.db2.gz KFXCPWWUGCRWRS-KFNWDQBUSA-N -1 3 546.748 8.003 1 0 KKAFHM COc1cc(CNC(=S)N[C@@H](CCc2ccc(C)c(C)c2)COC(=O)C(C)(C)C)cc(Cl)c1[O-] ZINC000028881708 561976956 /nfs/dbraw/zinc/97/69/56/561976956.db2.gz KFLZCSLZHWLCHY-FQEVSTJZSA-N -1 3 507.096 5.226 1 0 KKAFHM CCOC(=O)c1[n-]c(Br)c(-c2cc(OC)c(OC)cc2Br)c1Br ZINC000029124131 561997041 /nfs/dbraw/zinc/99/70/41/561997041.db2.gz DDZZYVHWLSALSY-UHFFFAOYSA-N -1 3 511.992 5.163 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)Oc2ccc3c(c2)CCC3)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029306391 562011714 /nfs/dbraw/zinc/01/17/14/562011714.db2.gz DAVRIYKEUVVUAE-UHFFFAOYSA-N -1 3 592.103 6.759 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)Oc2ccc3c(c2)CCC3)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029306391 562011715 /nfs/dbraw/zinc/01/17/15/562011715.db2.gz DAVRIYKEUVVUAE-UHFFFAOYSA-N -1 3 592.103 6.759 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@H](OC(=O)CC)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nnn[n-]1 ZINC000029317919 562012615 /nfs/dbraw/zinc/01/26/15/562012615.db2.gz KTXDWYPMHNODHB-HKBQPEDESA-N -1 3 604.111 6.144 1 0 KKAFHM CCCCc1nc(Cl)c(C(=O)O[C@H](OC(=O)CC)C(C)C)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1 ZINC000029317919 562012616 /nfs/dbraw/zinc/01/26/16/562012616.db2.gz KTXDWYPMHNODHB-HKBQPEDESA-N -1 3 604.111 6.144 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3Cl)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029397321 562018983 /nfs/dbraw/zinc/01/89/83/562018983.db2.gz YBOJLPBUOJONKC-UHFFFAOYSA-N -1 3 550.066 6.138 1 0 KKAFHM CCCCc1nc2ccn(Cc3ccccc3Cl)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029397321 562018985 /nfs/dbraw/zinc/01/89/85/562018985.db2.gz YBOJLPBUOJONKC-UHFFFAOYSA-N -1 3 550.066 6.138 1 0 KKAFHM CCCCc1nc2ccc([C@]3(CC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029409491 562021469 /nfs/dbraw/zinc/02/14/69/562021469.db2.gz ZPDBFUZSANKQIG-SFRLIIPVSA-N -1 3 575.717 6.040 1 0 KKAFHM CCCCc1nc2ccc([C@]3(CC)C[C@H]4CCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029409491 562021471 /nfs/dbraw/zinc/02/14/71/562021471.db2.gz ZPDBFUZSANKQIG-SFRLIIPVSA-N -1 3 575.717 6.040 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029409494 562021488 /nfs/dbraw/zinc/02/14/88/562021488.db2.gz NGHUUCYVFJXEDU-OOXUFLSTSA-N -1 3 575.717 6.040 1 0 KKAFHM CCCCc1nc2ccc([C@@]3(C)C[C@H]4CCCCN4O3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029409494 562021489 /nfs/dbraw/zinc/02/14/89/562021489.db2.gz NGHUUCYVFJXEDU-OOXUFLSTSA-N -1 3 575.717 6.040 1 0 KKAFHM CCCCc1nc2ccc(-c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029412680 562022118 /nfs/dbraw/zinc/02/21/18/562022118.db2.gz OVHSXGMGRJJCDJ-UHFFFAOYSA-N -1 3 518.646 6.363 1 0 KKAFHM CCCCc1nc2ccc(-c3cccs3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029412680 562022119 /nfs/dbraw/zinc/02/21/19/562022119.db2.gz OVHSXGMGRJJCDJ-UHFFFAOYSA-N -1 3 518.646 6.363 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4CCCCCC[C@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029485158 562028128 /nfs/dbraw/zinc/02/81/28/562028128.db2.gz VLMBACPJRXZTNH-WNPNTJLQSA-N -1 3 603.771 6.892 1 0 KKAFHM CCCCc1nc2ccc([C@H]3[C@@H]4CCCCCC[C@H]4ON3C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029485158 562028129 /nfs/dbraw/zinc/02/81/29/562028129.db2.gz VLMBACPJRXZTNH-WNPNTJLQSA-N -1 3 603.771 6.892 1 0 KKAFHM CCCCc1nc2ccc([C@H](OC)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000036222140 562051615 /nfs/dbraw/zinc/05/16/15/562051615.db2.gz AEFISCXKEDAXEG-JGCGQSQUSA-N -1 3 556.670 6.370 1 0 KKAFHM CCCCc1nc2ccc([C@H](OC)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000036222140 562051616 /nfs/dbraw/zinc/05/16/16/562051616.db2.gz AEFISCXKEDAXEG-JGCGQSQUSA-N -1 3 556.670 6.370 1 0 KKAFHM COc1ccc([C@@H]2Nc3cccc([O-])c3C(=O)N2Cc2ccccc2)cc1CSc1ccc(NC(C)=O)cc1 ZINC000038142024 562063390 /nfs/dbraw/zinc/06/33/90/562063390.db2.gz DWYMDWVNEIIEHC-SSEXGKCCSA-N -1 3 539.657 6.418 1 0 in-vitro KKAFHM O=C(Nc1cc(-c2ccccc2)c([O-])c(-c2ccccc2)c1)[C@@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 ZINC000040766910 562079726 /nfs/dbraw/zinc/07/97/26/562079726.db2.gz AGNDDQYVOOPGHE-BTJSCEBASA-N -1 3 506.646 6.482 1 0 KKAFHM CN(C)CCNC(=O)N1CC[C@H]2Cn3c4cc(C(=O)[O-])ccc4c(C4CCCCC4)c3-c3ccccc3[C@@H]21 ZINC000040404733 562074857 /nfs/dbraw/zinc/07/48/57/562074857.db2.gz TYIMRXKJKOPZIG-RBISFHTESA-N -1 3 514.670 5.702 1 0 KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3cc2O[C@@]1(C)[C@H](CCc1ccccc1)Cc1ccc(N)nc1 ZINC000085595264 560064176 /nfs/dbraw/zinc/06/41/76/560064176.db2.gz GKCRQURJRWWRKZ-BCXWOKJKSA-N -1 3 584.669 5.031 1 0 biogenic,in-vitro KKAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc([O-])c-3c2=O)O[C@@]1(C)[C@H](CCc1ccccc1)Cc1ccc(N)nc1 ZINC000085595264 560064178 /nfs/dbraw/zinc/06/41/78/560064178.db2.gz GKCRQURJRWWRKZ-BCXWOKJKSA-N -1 3 584.669 5.031 1 0 biogenic,in-vitro KKAFHM COc1ccc([C@@](OCCN2CCC[C@H](C(=O)[O-])C2)(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1C(F)(F)F ZINC000043273854 562647315 /nfs/dbraw/zinc/64/73/15/562647315.db2.gz JLPFRSGXRAQFON-WTYVLRPYSA-N -1 3 581.553 6.838 1 0 KKAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)Nc4ccccc4)c3Cl)c2n1 ZINC000043531642 562649090 /nfs/dbraw/zinc/64/90/90/562649090.db2.gz AAZRDMWGEYBJDY-UHFFFAOYSA-N -1 3 558.487 6.125 1 0 KKAFHM CCCCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1C(F)(F)F)O2 ZINC000043531679 562649156 /nfs/dbraw/zinc/64/91/56/562649156.db2.gz PLIOJBIDBYUPBK-YPAMIWDWSA-N -1 3 563.638 7.296 1 0 KKAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCc4ccccc4)c3Cl)c2n1 ZINC000043531862 562649201 /nfs/dbraw/zinc/64/92/01/562649201.db2.gz VZDBFGPBHQZHGQ-UHFFFAOYSA-N -1 3 586.541 5.845 1 0 KKAFHM COc1cc2c3c4c1Oc1cc5c(cc1O4)C(=NCC5)Cc1ccc([O-])c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2 ZINC000044086846 562652239 /nfs/dbraw/zinc/65/22/39/562652239.db2.gz HUUXXMNWOPUALW-SANMLTNESA-N -1 3 546.623 6.764 1 0 biogenic,in-vitro KKAFHM Cc1c(-c2cccc(OCCCCC(=O)[O-])c2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)F ZINC000044351375 562654650 /nfs/dbraw/zinc/65/46/50/562654650.db2.gz MEXADSOJSYPZRE-MHZLTWQESA-N -1 3 613.608 5.525 1 0 KKAFHM CO[N-]C(=O)CCCCC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(OC)cc21)c1nc(-c2ccc3ccccc3c2)c[nH]1 ZINC000044352622 562655243 /nfs/dbraw/zinc/65/52/43/562655243.db2.gz UXISUTRBQDULNG-LJAQVGFWSA-N -1 3 567.690 6.056 1 0 KKAFHM O=C(NCCN1CCCCC1)c1ccc(CNC(=O)c2ccc([O-])c(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000045201458 562659067 /nfs/dbraw/zinc/65/90/67/562659067.db2.gz POHIRIXMUOOOAG-UHFFFAOYSA-N -1 3 525.571 5.224 1 0 KKAFHM CC(C)Oc1cc2c(cc1[N-]S(=O)(=O)c1ccc(-c3ccc(Cl)s3)cc1F)CCN(C)CC2 ZINC000045202456 562659143 /nfs/dbraw/zinc/65/91/43/562659143.db2.gz JVFMPEUUYBJTCA-UHFFFAOYSA-N -1 3 509.068 5.826 1 0 KKAFHM O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000045337853 562661426 /nfs/dbraw/zinc/66/14/26/562661426.db2.gz HVWGQKPOKAMGKQ-VWLOTQADSA-N -1 3 510.556 5.868 1 0 KKAFHM CC(C)CC[C@H](c1cnc(C(F)(F)F)cn1)N1CC[C@@H](CC(=O)[O-])C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000045355164 562661841 /nfs/dbraw/zinc/66/18/41/562661841.db2.gz JAQUMVDVGJMAOI-HBGVWJBISA-N -1 3 517.514 6.920 1 0 KKAFHM CC[C@H](C)c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OC)c(N4CCN(CC5CC5)CC4)c3)cc2)cc1 ZINC000048307296 562662867 /nfs/dbraw/zinc/66/28/67/562662867.db2.gz TUUZZFRUFZPDTB-QHCPKHFHSA-N -1 3 576.763 5.794 1 0 KKAFHM O=C(NCCc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc([O-])c(-c2cccc(C(F)(F)F)c2)c1 ZINC000048307307 562662948 /nfs/dbraw/zinc/66/29/48/562662948.db2.gz BRMATWOKHXYMJW-QHCPKHFHSA-N -1 3 551.392 6.348 1 0 KKAFHM Cc1cc(N2C[C@@H]3C[C@H]2CN3C)ccc1-c1ccnc2c(-c3ccc(F)c([O-])c3)c(-c3ccncc3)nn21 ZINC000049034354 562663502 /nfs/dbraw/zinc/66/35/02/562663502.db2.gz FBURAFZZOWGKPS-GOTSBHOMSA-N -1 3 506.585 5.171 1 0 KKAFHM O=C(NCCc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(C(=O)c2ccc([O-])c(-c3ccc(Cl)c(Cl)c3)c2)C1 ZINC000049605246 562665551 /nfs/dbraw/zinc/66/55/51/562665551.db2.gz MREXSGMIONWXTR-IBGZPJMESA-N -1 3 566.312 6.884 1 0 KKAFHM C=C/C(C)=C/C[C@]1(C)[C@H]2C[C@@H](OC(C)=O)C=C3[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@]32[C@H](OC(=O)c2ccc([O-])cc2)C[C@@H]1C ZINC000049678956 562668694 /nfs/dbraw/zinc/66/86/94/562668694.db2.gz NVVFTAMNEDAOEH-GRWYDIJISA-N -1 3 596.673 5.159 1 0 KKAFHM CC(C)(C(=O)[O-])c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1 ZINC000049695243 562670301 /nfs/dbraw/zinc/67/03/01/562670301.db2.gz IAXOISXBOXYVMG-UHFFFAOYSA-N -1 3 610.116 8.824 1 0 KKAFHM O=C(NC1CCCCC1)c1csc([C@H]2CCCN(C(=O)c3ccc([O-])c(-c4cccc(C(F)(F)F)c4)c3)C2)n1 ZINC000049710085 562671492 /nfs/dbraw/zinc/67/14/92/562671492.db2.gz UZLBGKQDFPSXJE-FQEVSTJZSA-N -1 3 557.638 6.617 1 0 KKAFHM COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1N1CCN(CC2CC2)CC1 ZINC000049710067 562671508 /nfs/dbraw/zinc/67/15/08/562671508.db2.gz XDTBAMJKTMZPRT-UHFFFAOYSA-N -1 3 588.652 5.299 1 0 KKAFHM CCOc1c(C)c(C)c2c(c1C)CC[C@@](C)(COc1ccc(C=C3SC(=O)[N-]C3=O)cc1Br)O2 ZINC000049761951 562676235 /nfs/dbraw/zinc/67/62/35/562676235.db2.gz DKGMGNBUZOAOCL-VLXPNXCBSA-N -1 3 546.483 6.260 1 0 KKAFHM CN(C)CCN1c2ccc(I)cc2C(=O)N([C@@H](C(=O)[O-])c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1=O ZINC000049776367 562679419 /nfs/dbraw/zinc/67/94/19/562679419.db2.gz CHUHVISKSKMVCI-DNQXCXABSA-N -1 3 652.316 5.516 1 0 KKAFHM Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](C(=O)[O-])N2CCN(c3ccccc3)CC2)cc1Br ZINC000049780601 562681996 /nfs/dbraw/zinc/68/19/96/562681996.db2.gz AYWYSNRRZSYRTP-NDEPHWFRSA-N -1 3 590.518 5.852 1 0 KKAFHM [O-]c1ccc(C2=Nc3ccccc3S[C@@H](c3ccccc3Cl)C2C=Nc2ccc(Cl)cc2)cc1 ZINC000049784711 562683709 /nfs/dbraw/zinc/68/37/09/562683709.db2.gz NCUOSZOHQOHJKP-CKAVDDEVSA-N -1 3 503.454 8.663 1 0 KKAFHM CN[C@@H](Cn1c(=O)c(-c2cccc(OCCCOCC(=O)[O-])c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)c1ccccc1 ZINC000049898898 562693008 /nfs/dbraw/zinc/69/30/08/562693008.db2.gz GQUNRVHHNJVPMJ-SANMLTNESA-N -1 3 661.624 5.162 1 0 KKAFHM COc1c([N-]S(C)(=O)=O)cc(C(C)(C)C)cc1NC(=O)C(=O)c1ccc(Nc2ccncc2)c2ccccc12 ZINC000058523763 562698588 /nfs/dbraw/zinc/69/85/88/562698588.db2.gz PFXHSJRHNSRFIZ-UHFFFAOYSA-N -1 3 546.649 5.477 1 0 KKAFHM Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060326906 562702696 /nfs/dbraw/zinc/70/26/96/562702696.db2.gz PIYAMUBGJBRZRS-AWEZNQCLSA-N -1 3 558.985 5.736 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(-c2ccc(F)cc2)nc1N1CCC(C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327397 562702746 /nfs/dbraw/zinc/70/27/46/562702746.db2.gz DNNVDAWHZPFRIT-IBGZPJMESA-N -1 3 542.652 5.055 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1N1CCC(Cc2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060327912 562702757 /nfs/dbraw/zinc/70/27/57/562702757.db2.gz AEYFSGNHKZUKIT-HXUWFJFHSA-N -1 3 591.671 6.095 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2[nH]ccc2c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060328610 562702821 /nfs/dbraw/zinc/70/28/21/562702821.db2.gz HPWBNIMSUGJGOV-CQSZACIVSA-N -1 3 534.535 5.179 1 0 KKAFHM Cc1cc(C(F)(F)F)nc(N2CCC(Cc3ccccc3)CC2)c1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000060329346 562702849 /nfs/dbraw/zinc/70/28/49/562702849.db2.gz BTHOPMBHGBPNCU-FQEVSTJZSA-N -1 3 606.686 5.798 1 0 KKAFHM CC(C)(C)CC(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2[n-]1 ZINC000064548991 562707985 /nfs/dbraw/zinc/70/79/85/562707985.db2.gz OYHLEPRPXMBMDC-NSOVKSMOSA-N -1 3 536.676 5.567 1 0 KKAFHM CN(CCN1CCCC1)[C@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)[O-])cc3n2C1 ZINC000066099864 562711145 /nfs/dbraw/zinc/71/11/45/562711145.db2.gz ADWCQRSCTVWPEH-XMMPIXPASA-N -1 3 501.671 5.843 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2cccc3c2O[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)CN([C@H](C)CO)C3=O)cc1 ZINC000072126825 562725437 /nfs/dbraw/zinc/72/54/37/562725437.db2.gz XBNMMIUYLLSXQW-TWUWCHPWSA-N -1 3 636.598 5.155 3 0 KKAFHM COC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC(C)(C)C)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000073139766 562733484 /nfs/dbraw/zinc/73/34/84/562733484.db2.gz UXCCSGPJGOHOLI-LOSJGSFVSA-N -1 3 570.542 7.302 1 0 KKAFHM CCCCNc1ccc2c(c1)[N-]C(=S)[C@H](c1ccc(Cl)cc1)N([C@@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073139795 562733494 /nfs/dbraw/zinc/73/34/94/562733494.db2.gz NELKOIHGMMKSKX-LOSJGSFVSA-N -1 3 556.515 7.056 1 0 KKAFHM CCCCCNc1ccc2c(c1)[N-]C(=S)[C@@H](c1ccc(Cl)cc1)N([C@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073139782 562733531 /nfs/dbraw/zinc/73/35/31/562733531.db2.gz UOEMUDYIXWSFSB-FTJBHMTQSA-N -1 3 570.542 7.446 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCc3ccco3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073140515 562733621 /nfs/dbraw/zinc/73/36/21/562733621.db2.gz FCJHQDZZLYGFEJ-FTJBHMTQSA-N -1 3 580.493 7.049 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2ccc(NCC3CCCCC3)cc2[N-]C(=S)[C@H]1c1ccc(Cl)cc1 ZINC000073141712 562733727 /nfs/dbraw/zinc/73/37/27/562733727.db2.gz XVGRRMHFBUOUSZ-IZLXSDGUSA-N -1 3 596.580 7.836 1 0 KKAFHM O=S(=O)([N-]c1cc(-c2ccc3ncc(NCCc4ccccc4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073142140 562733762 /nfs/dbraw/zinc/73/37/62/562733762.db2.gz NISINSDPCKGKBV-UHFFFAOYSA-N -1 3 534.016 5.940 1 0 KKAFHM CCCNc1ccc2c(c1)[N-]C(=S)[C@H](c1ccc(Cl)cc1)N([C@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073156384 562733819 /nfs/dbraw/zinc/73/38/19/562733819.db2.gz ARVWKZBBDJPUMU-ZEQRLZLVSA-N -1 3 542.488 6.666 1 0 KKAFHM CCCNc1ccc2c(c1)[N-]C(=S)[C@@H](c1ccc(Cl)cc1)N([C@@H](C(=O)OC)c1ccc(Cl)cc1)C2=O ZINC000073156399 562733826 /nfs/dbraw/zinc/73/38/26/562733826.db2.gz ARVWKZBBDJPUMU-DNQXCXABSA-N -1 3 542.488 6.666 1 0 KKAFHM O=S(=O)([N-]c1cc(-c2ccc3ncc(N4CC5CCC(CC5)C4)nc3c2)cnc1Cl)c1ccc(F)cc1 ZINC000073169053 562734774 /nfs/dbraw/zinc/73/47/74/562734774.db2.gz YMALNMKYJXDZRH-UHFFFAOYSA-N -1 3 538.048 5.912 1 0 KKAFHM [O-]c1ccc(Br)c2c1Oc1cccc(c1)CCc1ccc(O)c(c1)Oc1ccc(cc1)CC2 ZINC000073294374 562737608 /nfs/dbraw/zinc/73/76/08/562737608.db2.gz LMVHHTKZWBBTGF-UHFFFAOYSA-N -1 3 503.392 7.329 1 0 KKAFHM C[C@@H](CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(N(Cc2ccccc2)c2ccc(Oc3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000082150786 562739845 /nfs/dbraw/zinc/73/98/45/562739845.db2.gz GAZVPCRVUAJMJO-DEOSSOPVSA-N -1 3 647.603 7.559 1 0 KKAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4cccc(C(F)(F)F)c4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084617260 562744849 /nfs/dbraw/zinc/74/48/49/562744849.db2.gz ZFTVPSJPUDCIHD-LJQANCHMSA-N -1 3 623.709 5.668 1 0 KKAFHM Cc1cn2c(-c3cnn(Cc4nc5ccccc5[nH]4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632647 562745590 /nfs/dbraw/zinc/74/55/90/562745590.db2.gz VSDJQVBNLIHGKB-SFHVURJKSA-N -1 3 538.685 5.258 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(F)c(F)cc2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084688002 562749090 /nfs/dbraw/zinc/74/90/90/562749090.db2.gz WRYKQKGTDQVJIF-SFTDATJTSA-N -1 3 521.372 6.122 1 0 KKAFHM COC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)c2cccc(Cl)c2[N-]C(=S)[C@@H]1c1ccc(Cl)cc1 ZINC000084690629 562749740 /nfs/dbraw/zinc/74/97/40/562749740.db2.gz FALALMAPVFZVGJ-SFTDATJTSA-N -1 3 519.837 6.498 1 0 KKAFHM CC(C)CN(Cc1ccccc1-c1ccccc1)[C@@H]1C[C@@H](CNC(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)N(C(=O)c2ccccc2C(=O)c2ccc(F)cc2F)C1 ZINC000095540241 562755590 /nfs/dbraw/zinc/75/55/90/562755590.db2.gz LOMAZTFGYVJFGL-WINTZHOJSA-N -1 3 812.939 8.358 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)cn2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095559218 562762685 /nfs/dbraw/zinc/76/26/85/562762685.db2.gz UQWKHTPMYQJVST-QYBDOPJKSA-N -1 3 500.536 6.916 1 0 KKAFHM C[C@@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)c(F)c2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560756 562763146 /nfs/dbraw/zinc/76/31/46/562763146.db2.gz OLYIUSRYRGMOQO-DNOBIOAJSA-N -1 3 517.538 7.660 1 0 KKAFHM C[C@H](C(=O)[O-])c1ccc([C@@H](c2ccc(F)c(F)c2)N2CCC(C)CC2)c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000095560758 562763158 /nfs/dbraw/zinc/76/31/58/562763158.db2.gz OLYIUSRYRGMOQO-XRHLQHRESA-N -1 3 517.538 7.660 1 0 KKAFHM CC(C)(C)c1cc(C(C)(C)C)c2c(c1F)CO[P@](=O)(OC[C@H]1O[C@@H](n3cc(I)c(=O)[n-]c3=O)C[C@@H]1F)O2 ZINC000095561123 562763253 /nfs/dbraw/zinc/76/32/53/562763253.db2.gz TWUKUGLVYRKWCG-BKOJKMRFSA-N -1 3 654.385 5.235 1 0 KKAFHM C[C@H](NC(=O)c1ccccc1[O-])C(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@H]32)C1 ZINC000095561535 562763420 /nfs/dbraw/zinc/76/34/20/562763420.db2.gz AOZIPYHZORKXJH-PMLNRKLPSA-N -1 3 605.816 6.789 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095568234 562766419 /nfs/dbraw/zinc/76/64/19/562766419.db2.gz MLNWPGCJBNVZPL-BCWKHWSNSA-N -1 3 706.265 5.327 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Oc3ccccc3)cc2)Oc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc2C1=O ZINC000095569801 562767709 /nfs/dbraw/zinc/76/77/09/562767709.db2.gz MNZYSAQRTSNRPQ-RNDKRWLGSA-N -1 3 664.224 6.285 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1 ZINC000095570456 562768237 /nfs/dbraw/zinc/76/82/37/562768237.db2.gz RKFPRZNLXVJUNG-TVUFSCHNSA-N -1 3 627.807 5.815 1 0 KKAFHM C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095571036 562768707 /nfs/dbraw/zinc/76/87/07/562768707.db2.gz ILXAKKDOMJRPPA-RXEHIIAQSA-N -1 3 624.562 5.285 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2C1=O ZINC000095571121 562768782 /nfs/dbraw/zinc/76/87/82/562768782.db2.gz VYACBIYDVUCBDQ-BIALHBOASA-N -1 3 641.017 5.800 1 0 KKAFHM CC1(C)CN(CC/C=C2\c3cccnc3COc3ccc(C(=O)[O-])cc32)C[C@H](c2ccc(Cl)cc2)[C@H]1O ZINC000095572273 562769410 /nfs/dbraw/zinc/76/94/10/562769410.db2.gz QKMUXXQVPOBBPT-VQMMKQGYSA-N -1 3 519.041 5.634 1 0 KKAFHM CC(C)CCN(Cc1ccc(F)c(F)c1)Cc1cc(-c2ccc(C(F)(F)F)cc2)cc([C@H](CC(C)C)C(=O)[O-])c1 ZINC000095575371 562770276 /nfs/dbraw/zinc/77/02/76/562770276.db2.gz LLGFXWBVMOKSFP-NDEPHWFRSA-N -1 3 561.635 8.913 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1NCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095575824 562770461 /nfs/dbraw/zinc/77/04/61/562770461.db2.gz XPLZDDGRPJSUET-QGZVFWFLSA-N -1 3 631.693 5.090 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1cccc2cccnc21 ZINC000095576328 562770617 /nfs/dbraw/zinc/77/06/17/562770617.db2.gz YFTOLNSVXZQZBM-XMHGGMMESA-N -1 3 655.799 6.982 1 0 KKAFHM CCc1c(C)c2cc3[nH]c(cc4nc(c5cc(=O)c6c(C)c(cc1[nH]2)[nH]c6-5)[C@H](CCC(=O)[O-])[C@@H]4C)c(C)c3[C@@H](C)OCc1cccc(I)c1 ZINC000095577387 562770928 /nfs/dbraw/zinc/77/09/28/562770928.db2.gz KNYYYFVBCXZQSZ-HRRBBWQUSA-N -1 3 768.696 9.453 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=C(c2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095578104 562771170 /nfs/dbraw/zinc/77/11/70/562771170.db2.gz OTSNSLYMBVCSBZ-SFHVURJKSA-N -1 3 576.616 5.325 1 0 KKAFHM Cn1c2cc(C(=O)NC3(C(=O)Nc4ccc(/C=C/C(=O)[O-])cc4)CCN(C)CC3)ccc2c(C2CCCC2)c1-c1ccc(Cl)cn1 ZINC000095578628 562771290 /nfs/dbraw/zinc/77/12/90/562771290.db2.gz ZZRJCPOWWRARES-CXUHLZMHSA-N -1 3 640.184 6.482 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(Nc2ccccc2)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095579743 562771632 /nfs/dbraw/zinc/77/16/32/562771632.db2.gz BUVANZDKPMKOJE-SFHVURJKSA-N -1 3 593.647 5.112 1 0 KKAFHM O=S(=O)([N-]c1cscn1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnc(N3CCNCC3)c2)cc1F ZINC000095584510 562773282 /nfs/dbraw/zinc/77/32/82/562773282.db2.gz FGKKVTXLKDUQKD-UHFFFAOYSA-N -1 3 564.039 5.139 1 0 KKAFHM O=c1oc2ccc(Br)cc2cc1-c1csc(N2N=C(c3ccc(Br)cc3)C[C@@]2([O-])C(F)(F)F)n1 ZINC000095586606 562774031 /nfs/dbraw/zinc/77/40/31/562774031.db2.gz FDISPUIZLZZPFV-OAQYLSRUSA-N -1 3 615.225 6.307 1 0 KKAFHM CC(C)=CCc1cc(C(=O)Nc2cc3ccc(OCCCNc4ccccc4)c(C)c3oc2=O)ccc1[O-] ZINC000095598322 562777411 /nfs/dbraw/zinc/77/74/11/562777411.db2.gz GXFWITGMGNVTMI-UHFFFAOYSA-N -1 3 512.606 6.449 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc3c(c2)OCO3)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095598739 562777509 /nfs/dbraw/zinc/77/75/09/562777509.db2.gz VEPDEMYFDLWGKS-QVEDPAKJSA-N -1 3 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Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc4ccccc42)OCCCC[C@@H](C)O3)cc1 ZINC000095600467 562778915 /nfs/dbraw/zinc/77/89/15/562778915.db2.gz USSUINMNPXSLJL-VLGWTIBNSA-N -1 3 730.928 6.908 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095600611 562779005 /nfs/dbraw/zinc/77/90/05/562779005.db2.gz LTBMLRZREJTXIR-ZIZQKJAQSA-N -1 3 736.353 5.565 1 0 KKAFHM Cc1ccc(S(=O)(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095600799 562779191 /nfs/dbraw/zinc/77/91/91/562779191.db2.gz HXECTXYQHLRECE-GMERYBDXSA-N -1 3 719.898 5.051 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc(Oc4ccccc4)cc2)O3)cc1 ZINC000095601617 562779678 /nfs/dbraw/zinc/77/96/78/562779678.db2.gz KMMQDOVCDINFEJ-KAUPTSPVSA-N -1 3 657.833 5.869 1 0 KKAFHM COc1ccc(CN(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095601957 562779836 /nfs/dbraw/zinc/77/98/36/562779836.db2.gz JULLQOCSFVORMO-JDJCDPLLSA-N -1 3 681.896 5.732 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095603051 562780349 /nfs/dbraw/zinc/78/03/49/562780349.db2.gz QMWRRMYICQUONI-FQWYTPLZSA-N -1 3 627.807 5.435 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095603454 562780546 /nfs/dbraw/zinc/78/05/46/562780546.db2.gz UFTUBZJHXRESLK-HOPFVHLTSA-N -1 3 724.723 6.861 1 0 KKAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605206 562781426 /nfs/dbraw/zinc/78/14/26/562781426.db2.gz RPNLMNYQLLWISV-RUJGDQLBSA-N -1 3 740.316 5.396 1 0 KKAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095605414 562781535 /nfs/dbraw/zinc/78/15/35/562781535.db2.gz UFTUBZJHXRESLK-MEEIBLSFSA-N -1 3 724.723 6.861 1 0 KKAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)OCCCC[C@@H](C)O3)cc1 ZINC000095605639 562781639 /nfs/dbraw/zinc/78/16/39/562781639.db2.gz ISGWUMSRLISZDA-IHLWBQKJSA-N -1 3 720.760 7.030 1 0 KKAFHM COc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc2ccc(C(=O)[O-])cc2)OCCCC[C@@H](C)O3)cc1 ZINC000095751752 562788833 /nfs/dbraw/zinc/78/88/33/562788833.db2.gz XHKHZLHSPYTKDF-MGXQNUJRSA-N -1 3 690.838 5.965 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)OCCCC[C@H](C)O3)cc1 ZINC000095775522 562789036 /nfs/dbraw/zinc/78/90/36/562789036.db2.gz ZCVYHUVHDQCFKB-IUVSGJEMSA-N -1 3 752.352 5.266 1 0 KKAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2cccc4ccccc42)OCCCC[C@H](C)O3)cc1 ZINC000095782249 562789089 /nfs/dbraw/zinc/78/90/89/562789089.db2.gz LEWINKIRDBBWKO-RPPOFCOKSA-N -1 3 746.927 6.609 1 0 KKAFHM C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccc(-c3ccccc3)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095853745 562789551 /nfs/dbraw/zinc/78/95/51/562789551.db2.gz YLCYRDPZGWCEPF-ISVMRZDUSA-N -1 3 631.770 5.646 1 0 KKAFHM COCCOc1ccccc1[C@@H]1c2c(n[n-]c2C(C)(C)CO)C(=O)N1c1ccc(-c2ccsc2)cc1 ZINC000096177138 562792430 /nfs/dbraw/zinc/79/24/30/562792430.db2.gz POCNVSJBRFTFHL-RUZDIDTESA-N -1 3 503.624 5.183 1 0 KKAFHM CCCc1scc(-c2cn[nH]c2)c1C[C@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)c1nccc(=O)[n-]1 ZINC000096269756 562792997 /nfs/dbraw/zinc/79/29/97/562792997.db2.gz VZGLRGZNIAWDHX-QFIPXVFZSA-N -1 3 521.090 5.482 1 0 KKAFHM CCCCc1ccc(COc2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096270901 562793446 /nfs/dbraw/zinc/79/34/46/562793446.db2.gz ZWLLBJLEERYXJK-SFHVURJKSA-N -1 3 581.632 5.953 1 0 KKAFHM Cc1ccc(Oc2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000096270910 562793466 /nfs/dbraw/zinc/79/34/66/562793466.db2.gz VVYZUYBPNMTXBD-OAHLLOKOSA-N -1 3 525.524 5.132 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1OCC1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270917 562793549 /nfs/dbraw/zinc/79/35/49/562793549.db2.gz GFXRRBAIECQZAS-KRWDZBQOSA-N -1 3 632.677 5.057 1 0 KKAFHM CCCC[C@H](CCC)Oc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270953 562793621 /nfs/dbraw/zinc/79/36/21/562793621.db2.gz ZNSYELSQJFXBLR-APWZRJJASA-N -1 3 547.615 5.769 1 0 KKAFHM Cc1cc(Cl)nc(C)c1C(=O)NCC[C@@H](C)N1CCC(N2C(=O)N(C3CCC(C(=O)[O-])CC3)C[C@H]2c2ccccc2)CC1 ZINC000096285431 562795697 /nfs/dbraw/zinc/79/56/97/562795697.db2.gz NYXVTYVDAASDRR-CBTZBGNQSA-N -1 3 610.199 5.447 1 0 KKAFHM Cc1cc(Cl)nc(C)c1C(=O)NCC[C@H](C)N1CCC(N2C(=O)N(C3CCC(C(=O)[O-])CC3)C[C@H]2c2ccccc2)CC1 ZINC000096285432 562795699 /nfs/dbraw/zinc/79/56/99/562795699.db2.gz NYXVTYVDAASDRR-MQRFMVQLSA-N -1 3 610.199 5.447 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1S[C@@H]1CCCC[C@@H]1C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286079 562795995 /nfs/dbraw/zinc/79/59/95/562795995.db2.gz JXVCKHKRYPJWMM-AUSJPIAWSA-N -1 3 547.640 5.702 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCOc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286097 562796066 /nfs/dbraw/zinc/79/60/66/562796066.db2.gz HSGBEFKDCXJUKS-MRXNPFEDSA-N -1 3 571.618 5.202 1 0 KKAFHM Cc1cccc(Oc2ccc(C(=O)N[C@H](CN3CCN(c4cccc(O)c4)[C@@H](C)C3)C(C)C)cc2[O-])c1 ZINC000096910127 562799889 /nfs/dbraw/zinc/79/98/89/562799889.db2.gz AAFKOXZJMUODRO-WXVAWEFUSA-N -1 3 503.643 5.164 1 0 KKAFHM CCCS(=O)(=O)[N-]c1ccc(F)c(C(=O)Nc2cnc3[nH]c(-c4ccc(C(F)(F)F)cc4)nc3c2)c1F ZINC000096937583 562804272 /nfs/dbraw/zinc/80/42/72/562804272.db2.gz ICKYGXBLGOQLQH-UHFFFAOYSA-N -1 3 539.486 5.326 1 0 KKAFHM CC(C)c1cc(C(C)C)c(CC(=O)[N-][P@@](=O)(Oc2c(C(C)C)cccc2C(C)C)c2ccccc2)c(C(C)C)c1 ZINC000100815003 562808089 /nfs/dbraw/zinc/80/80/89/562808089.db2.gz GTTOIVPYJFQSGB-FAIXQHPJSA-N -1 3 561.747 9.560 1 0 KKAFHM CC(C)(C(=O)[O-])c1cc(-c2cc3c(N)[nH]ccc-3n2)c(O)c(-c2cccc(CNC(=O)Nc3c(F)cccc3F)c2)c1 ZINC000101043505 562808887 /nfs/dbraw/zinc/80/88/87/562808887.db2.gz KGPHQSIUJOQCDS-UHFFFAOYSA-N -1 3 571.584 6.098 1 0 KKAFHM CN(C(=O)[N-]C(=O)c1c(F)cccc1F)c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 ZINC000103197289 562815911 /nfs/dbraw/zinc/81/59/11/562815911.db2.gz YFULWRUONUHFEU-UHFFFAOYSA-N -1 3 554.686 7.117 1 0 KKAFHM Fc1ccc(Nc2nc(NCc3ccc(C4CCCCC4)cc3)nc3c2ncn3CCc2nnn[n-]2)cc1 ZINC000103246528 562819912 /nfs/dbraw/zinc/81/99/12/562819912.db2.gz JRGPPQGUQGYSIU-UHFFFAOYSA-N -1 3 512.597 5.125 1 0 KKAFHM Fc1ccc(Nc2nc(NCc3ccc(C4CCCCC4)cc3)nc3c2ncn3CCc2nn[n-]n2)cc1 ZINC000103246528 562819913 /nfs/dbraw/zinc/81/99/13/562819913.db2.gz JRGPPQGUQGYSIU-UHFFFAOYSA-N -1 3 512.597 5.125 1 0 KKAFHM COc1ccccc1C[N@H+](C)CCCCCCOc1ccc(-c2coc3cc([O-])cc([O-])c3c2=O)cc1 ZINC000103251919 562820382 /nfs/dbraw/zinc/82/03/82/562820382.db2.gz BPPTXAQEIQFQDQ-UHFFFAOYSA-N -1 3 503.595 5.951 1 0 KKAFHM COc1ccccc1C[N@@H+](C)CCCCCCOc1ccc(-c2coc3cc([O-])cc([O-])c3c2=O)cc1 ZINC000103251919 562820383 /nfs/dbraw/zinc/82/03/83/562820383.db2.gz BPPTXAQEIQFQDQ-UHFFFAOYSA-N -1 3 503.595 5.951 1 0 KKAFHM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3nc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000103254038 562820622 /nfs/dbraw/zinc/82/06/22/562820622.db2.gz CNODLALQBVKLIV-MKNBMTNBSA-N -1 3 615.489 5.623 1 0 KKAFHM COc1ccc2c(c1)C=C1CN(C)CCCCN(C)S(=O)(=O)[N-]C(=O)c3ccc4c(c3)n(c-2c4C2CCCCC2)C1 ZINC000103255759 562820813 /nfs/dbraw/zinc/82/08/13/562820813.db2.gz YHUNGIAKAKLMDP-UHFFFAOYSA-N -1 3 576.763 5.394 1 0 KKAFHM COc1ccc(N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(CN(CC(=O)[O-])Cc3ccccc3)cc2)cc1 ZINC000103285798 562823802 /nfs/dbraw/zinc/82/38/02/562823802.db2.gz QPNDXYWCXIEMCB-UHFFFAOYSA-N -1 3 538.600 5.358 1 0 KKAFHM Cc1ccc(/C=C/n2nc(C(C)(C)C)cc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000113489473 562826614 /nfs/dbraw/zinc/82/66/14/562826614.db2.gz QEHPANKTGQNOOS-KQDNUWKFSA-N -1 3 512.651 5.047 1 0 KKAFHM CN(C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3cc(F)c(-c4cc(F)c([O-])c(Cl)c4)cc32)cc1 ZINC000114036405 562827016 /nfs/dbraw/zinc/82/70/16/562827016.db2.gz JUSSFCNIFJCZKV-UHFFFAOYSA-N -1 3 507.968 6.937 1 0 KKAFHM CC(C)C(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc2c1Nc1ccc(CN(C)C)cc1 ZINC000114035353 562827046 /nfs/dbraw/zinc/82/70/46/562827046.db2.gz VEOAADXBLJDRBU-UHFFFAOYSA-N -1 3 508.449 7.558 1 0 KKAFHM O=C(c1cnc2ccc(-c3ccc([O-])c(Cl)c3)cc2c1N1CCC(CN2CCOCC2)CC1)C1CC1 ZINC000114036986 562827196 /nfs/dbraw/zinc/82/71/96/562827196.db2.gz MALPONILHDQNAC-UHFFFAOYSA-N -1 3 506.046 5.402 1 0 KKAFHM CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc([N-]S(=O)(=O)C(C)(C)C)nc1)n2C1CCCCC1 ZINC000114584335 562828309 /nfs/dbraw/zinc/82/83/09/562828309.db2.gz NGDRWQJDLPEXBS-UHFFFAOYSA-N -1 3 500.640 5.549 1 0 KKAFHM Cc1ccccc1-c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)[O-])CC4)no2)cc1C(F)(F)F ZINC000118849084 562830761 /nfs/dbraw/zinc/83/07/61/562830761.db2.gz XEYJYFKBXVADGE-UHFFFAOYSA-N -1 3 507.512 6.231 1 0 KKAFHM C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)[O-])CC4)no2)cc1C(F)(F)F ZINC000118855175 562830797 /nfs/dbraw/zinc/83/07/97/562830797.db2.gz PZQFUZZCRSCJMG-KRWDZBQOSA-N -1 3 514.548 5.634 1 0 KKAFHM Cc1ccccc1[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000138636768 562832081 /nfs/dbraw/zinc/83/20/81/562832081.db2.gz TWARXALIPUGPAR-AREMUKBSSA-N -1 3 609.711 6.793 1 0 KKAFHM CS(=O)(=O)[N-]c1ccc([C@H](C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc(F)cc2)cc1F ZINC000139912568 562832827 /nfs/dbraw/zinc/83/28/27/562832827.db2.gz MAXDKGSWEZICAO-RUZDIDTESA-N -1 3 613.674 6.623 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4Cl)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000144553822 562836397 /nfs/dbraw/zinc/83/63/97/562836397.db2.gz MPGAKBYRHFBQFW-UHFFFAOYSA-N -1 3 583.056 6.633 1 0 KKAFHM Cc1cc(-c2ccc(C(F)(F)F)nc2)c(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1Cl ZINC000144546886 562836402 /nfs/dbraw/zinc/83/64/02/562836402.db2.gz BZCPGJIAGXBLMC-UHFFFAOYSA-N -1 3 559.972 6.419 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(=O)[O-])cc4C)C(=O)O3)CC2)c(-c2ccc(F)c(F)c2F)cc1C ZINC000144609258 562836513 /nfs/dbraw/zinc/83/65/13/562836513.db2.gz JZNSPAAUTLTYFU-UHFFFAOYSA-N -1 3 568.592 6.476 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1OC1CCCCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000145714447 562837491 /nfs/dbraw/zinc/83/74/91/562837491.db2.gz YAHNYLHLVBTIGO-OAHLLOKOSA-N -1 3 516.557 5.347 1 0 KKAFHM COc1ccc(-c2cc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000145857949 562837660 /nfs/dbraw/zinc/83/76/60/562837660.db2.gz MELPGTMHQUBDIX-HNNXBMFYSA-N -1 3 524.536 5.312 1 0 KKAFHM CCc1cc([O-])c(F)cc1-c1ccc2c(c1)[nH]nc2-c1nc2c([nH]1)CN(Cc1cnc3ccccc3c1)CC2 ZINC000146068395 562838101 /nfs/dbraw/zinc/83/81/01/562838101.db2.gz KMVWVUJNPYIYKE-UHFFFAOYSA-N -1 3 518.596 6.134 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc(C(C)(C)C)cc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146245175 562838369 /nfs/dbraw/zinc/83/83/69/562838369.db2.gz AOKIGLGDJYWRRO-MRXNPFEDSA-N -1 3 551.606 5.995 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)cc1OCc1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146348183 562838492 /nfs/dbraw/zinc/83/84/92/562838492.db2.gz PIWZRMSKHHJFKX-MRXNPFEDSA-N -1 3 524.536 5.215 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1-c1ccc2cc[nH]c2c1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000146991021 562839013 /nfs/dbraw/zinc/83/90/13/562839013.db2.gz JCUYVMYIZDQZHG-CQSZACIVSA-N -1 3 534.535 5.179 1 0 KKAFHM COc1ccc2c(c1)[C@@H]1C[C@]1(C(=O)N1CC34CN(C)CC3(CN(C)C4)C1)Cn1c3cc(C(=O)[N-]S(=O)(=O)C(C)C)ccc3c(C3CCCCC3)c1-2 ZINC000165408985 562850225 /nfs/dbraw/zinc/85/02/25/562850225.db2.gz VSHHLFWFZKBTAQ-LUUJKXMLSA-N -1 3 713.945 5.026 1 0 KKAFHM COc1cc(/C=C/c2cc3[nH]cc(CC=C(C)C)c3c([O-])c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2 ZINC000169311104 562855005 /nfs/dbraw/zinc/85/50/05/562855005.db2.gz NUBRNEHWHQHIKV-JTXVYZCNSA-N -1 3 501.667 7.052 1 0 KKAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@@H+]2C[C@H]3[C@H](COC(=O)Nc4ccccc4-c4ccc([O-])c(Cl)c4)[C@H]3C2)ccc1[O-] ZINC000169323333 562857022 /nfs/dbraw/zinc/85/70/22/562857022.db2.gz NYJDYILKQVAKDD-XQICOKAMSA-N -1 3 729.340 6.570 1 0 KKAFHM CS(=O)(=O)[N-]c1cc([C@@H](O)C[NH2+]CCCCCCCCC[N@H+]2C[C@H]3[C@H](COC(=O)Nc4ccccc4-c4ccc([O-])c(Cl)c4)[C@H]3C2)ccc1[O-] ZINC000169323333 562857023 /nfs/dbraw/zinc/85/70/23/562857023.db2.gz NYJDYILKQVAKDD-XQICOKAMSA-N -1 3 729.340 6.570 1 0 KKAFHM CCOc1nc2cccc(NC(=O)c3ccccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324698 562857386 /nfs/dbraw/zinc/85/73/86/562857386.db2.gz ORUMRJQIEFNGMF-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(NC(=O)c3ccccc3Cl)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324698 562857387 /nfs/dbraw/zinc/85/73/87/562857387.db2.gz ORUMRJQIEFNGMF-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(NC(=O)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324701 562857393 /nfs/dbraw/zinc/85/73/93/562857393.db2.gz UZUSIMWZGJIHFM-UHFFFAOYSA-N -1 3 515.577 5.583 1 0 KKAFHM CCOc1nc2cccc(NC(=O)c3ccccc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324701 562857394 /nfs/dbraw/zinc/85/73/94/562857394.db2.gz UZUSIMWZGJIHFM-UHFFFAOYSA-N -1 3 515.577 5.583 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324726 562857446 /nfs/dbraw/zinc/85/74/46/562857446.db2.gz WIBYSGJYLGQJNC-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324726 562857447 /nfs/dbraw/zinc/85/74/47/562857447.db2.gz WIBYSGJYLGQJNC-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3cccc(Cl)c3)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000169324752 562857483 /nfs/dbraw/zinc/85/74/83/562857483.db2.gz UXPPIDFGJWZLIZ-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCOc1nc2cccc(C(=O)Nc3cccc(Cl)c3)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000169324752 562857484 /nfs/dbraw/zinc/85/74/84/562857484.db2.gz UXPPIDFGJWZLIZ-UHFFFAOYSA-N -1 3 550.022 6.236 1 0 KKAFHM CCC[C@H](c1ccc(C(=O)[O-])c(Oc2cccc(Cl)c2)c1OC)N1CCC[C@H](n2cc(C)c(=O)[nH]c2=O)C1 ZINC000169326872 562857865 /nfs/dbraw/zinc/85/78/65/562857865.db2.gz XVPXLXHJBOCGDG-WMZHIEFXSA-N -1 3 542.032 5.176 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=S)NCc4ccccc4)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000169339716 562860444 /nfs/dbraw/zinc/86/04/44/562860444.db2.gz KEQPXOAXBHXISN-SSEXGKCCSA-N -1 3 604.201 6.115 1 0 KKAFHM Cc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2c2ccc(S(=O)(=O)[N-]C(=O)NCc3ccccc3)cc2)cc1 ZINC000169339690 562860463 /nfs/dbraw/zinc/86/04/63/562860463.db2.gz YYPLMECASAHAAZ-HKBQPEDESA-N -1 3 567.715 5.605 1 0 KKAFHM CN(C)c1ccc(C2=NN(c3ccc(S(=O)(=O)[N-]C(=O)NCc4ccccc4)cc3)[C@@H](c3ccccc3Cl)C2)cc1 ZINC000169339695 562860483 /nfs/dbraw/zinc/86/04/83/562860483.db2.gz QUNBYKXVWXBLOR-SSEXGKCCSA-N -1 3 588.133 5.950 1 0 KKAFHM CCCCC(CCCC)[C@@H]1C(=C([O-])c2ccc(CO)cc2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694815 562865599 /nfs/dbraw/zinc/86/55/99/562865599.db2.gz DLBSADYRTNZKDY-RRPNLBNLSA-N -1 3 502.611 5.614 1 0 KKAFHM CCCCC(CCCC)[C@@H]1C(C(=O)c2ccc(CO)cc2)=C([O-])C(=O)N1c1ccc(-c2ccon2)cc1 ZINC000169694815 562865600 /nfs/dbraw/zinc/86/56/00/562865600.db2.gz DLBSADYRTNZKDY-RRPNLBNLSA-N -1 3 502.611 5.614 1 0 KKAFHM COCCOc1ccccc1[C@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169695724 562865784 /nfs/dbraw/zinc/86/57/84/562865784.db2.gz HKHJBNPXHHONJN-SVBPBHIXSA-N -1 3 505.636 5.637 1 0 KKAFHM Cc1cc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3C(=O)N(C)C)cc2)cs1 ZINC000169696072 562865868 /nfs/dbraw/zinc/86/58/68/562865868.db2.gz TXDPMWWXOKDALZ-IZZNHLLZSA-N -1 3 502.636 5.314 1 0 KKAFHM CC(C)CC(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1N1CCOCC1 ZINC000169696194 562865978 /nfs/dbraw/zinc/86/59/78/562865978.db2.gz IWRZFDVRNKFXFJ-SVBPBHIXSA-N -1 3 502.636 5.140 1 0 KKAFHM COCCOc1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)n2)cc1 ZINC000169696142 562865980 /nfs/dbraw/zinc/86/59/80/562865980.db2.gz SNBJCOWKKNKKJK-CLJLJLNGSA-N -1 3 506.624 5.032 1 0 KKAFHM COCCN(C)C(=O)c1ccccc1[C@@H]1C(C(=O)CC(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696401 562865984 /nfs/dbraw/zinc/86/59/84/562865984.db2.gz UASMMMRYYVQTHF-VSGBNLITSA-N -1 3 546.689 5.330 1 0 KKAFHM CCN(C)C(=O)c1ccccc1[C@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696392 562865988 /nfs/dbraw/zinc/86/59/88/562865988.db2.gz LDGPBAOTRNHWPT-RPBOFIJWSA-N -1 3 502.636 5.314 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)C3c3cccnc3C(=O)OC(C)C)cc2)s1 ZINC000169696430 562866070 /nfs/dbraw/zinc/86/60/70/562866070.db2.gz NZRZNSFGOKNWKN-RSXGOPAZSA-N -1 3 518.635 5.572 1 0 KKAFHM COCCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2ccc(C)s2)cc1 ZINC000169696667 562866174 /nfs/dbraw/zinc/86/61/74/562866174.db2.gz PAYUPMDZXNJZNZ-BJKOFHAPSA-N -1 3 506.624 5.032 1 0 KKAFHM COCCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C([O-])C(=O)N1c1ccc(-c2csc(C)c2)cc1 ZINC000169696675 562866180 /nfs/dbraw/zinc/86/61/80/562866180.db2.gz KSINMFIWFMBYFM-BJKOFHAPSA-N -1 3 506.624 5.032 1 0 KKAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3cccnc3C(=O)NC(C)C)cc2)s1 ZINC000169696705 562866280 /nfs/dbraw/zinc/86/62/80/562866280.db2.gz VNXPGDTVXDCEJC-AZGAKELHSA-N -1 3 517.651 5.145 1 0 KKAFHM O=C([O-])c1ccc(N2CC3(CCN(Cc4cn(-c5ccccc5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1 ZINC000169702627 562868451 /nfs/dbraw/zinc/86/84/51/562868451.db2.gz ZSPCNQKSBXVHAK-UHFFFAOYSA-N -1 3 592.574 6.128 1 0 KKAFHM COc1ccc(-c2nc(C3CCCCC3)sc2CN2CCC3(CN(c4ccc(C(=O)[O-])cc4)C(=O)O3)CC2)cc1 ZINC000169702665 562868495 /nfs/dbraw/zinc/86/84/95/562868495.db2.gz MTELTWHXVKLJHF-UHFFFAOYSA-N -1 3 561.704 6.556 1 0 KKAFHM CCOc1cc(CN2CCC3(CN(c4ccc(C(C)(C)C(=O)[O-])cc4)C(=O)O3)CC2)cc(OCC)c1-c1ccc(F)cc1 ZINC000169702636 562868528 /nfs/dbraw/zinc/86/85/28/562868528.db2.gz KEERRFDJUVBVFV-UHFFFAOYSA-N -1 3 590.692 6.644 1 0 KKAFHM O=C([O-])[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCC2(CC1)O[C@H](c1cc(Cl)cc(Cl)c1)c1cccnc12 ZINC000169703942 562868913 /nfs/dbraw/zinc/86/89/13/562868913.db2.gz LRAVDJRDDIEAQM-FGZHOGPDSA-N -1 3 553.364 6.524 1 0 KKAFHM Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000198923467 562872888 /nfs/dbraw/zinc/87/28/88/562872888.db2.gz NOIKDSYWJSLLAU-QHCPKHFHSA-N -1 3 566.709 7.522 1 0 KKAFHM Cc1c(C)n(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12 ZINC000198923467 562872889 /nfs/dbraw/zinc/87/28/89/562872889.db2.gz NOIKDSYWJSLLAU-QHCPKHFHSA-N -1 3 566.709 7.522 1 0 KKAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cc(C)cs3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202732097 562873823 /nfs/dbraw/zinc/87/38/23/562873823.db2.gz DKLHBHMQVGOHQW-JWQCQUIFSA-N -1 3 563.141 5.454 1 0 KKAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3sc(C)nc3C)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000202734510 562873893 /nfs/dbraw/zinc/87/38/93/562873893.db2.gz FJGOMCDEKDTUKN-RPBOFIJWSA-N -1 3 578.156 5.158 1 0 KKAFHM CN1CCC[C@@H](n2cc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c([O-])c(Cl)c5)cc43)cn2)C1 ZINC000203988740 562874292 /nfs/dbraw/zinc/87/42/92/562874292.db2.gz XJCNFOMZAJIODF-HXUWFJFHSA-N -1 3 520.008 6.199 1 0 KKAFHM CC1CCC(Cn2c(N3CCC[C@@H]4COCC[C@@H]43)nc3cc(-c4noc(=O)[n-]4)nc(-c4cncc(Cl)c4)c32)CC1 ZINC000209607132 562876926 /nfs/dbraw/zinc/87/69/26/562876926.db2.gz SICWPWHPJFOOOQ-QAWQHFAHSA-N -1 3 564.090 5.322 1 0 KKAFHM CC[C@@H]1CC[C@H](Cn2c(N3CCO[C@@H]4CCC[C@H]43)nc3cc(-c4noc(=O)[n-]4)nc(-c4cncc(Cl)c4)c32)C1 ZINC000219413325 562878174 /nfs/dbraw/zinc/87/81/74/562878174.db2.gz ZOUXNVYMQAYQQO-OIDISNMWSA-N -1 3 550.063 5.074 1 0 KKAFHM CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)C(=C([O-])c2ccc(Cl)cc2)S1(=O)=O ZINC000253676304 562882759 /nfs/dbraw/zinc/88/27/59/562882759.db2.gz CQFWHUCSXRDQPO-NJRQHTIISA-N -1 3 566.890 5.630 1 0 KKAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1C1CCC(C(C)(C)C)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000299834915 562886665 /nfs/dbraw/zinc/88/66/65/562886665.db2.gz WACMEXRQSXAUTA-VXESANQCSA-N -1 3 557.654 6.351 1 0 KKAFHM C=C/C(C)=C/C[C@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@@]23C(=C[C@H](OC(=O)c4ccc([O-])cc4)C[C@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O ZINC000473134949 562900608 /nfs/dbraw/zinc/90/06/08/562900608.db2.gz KDFJGOJMESXSKR-MYSRHRGASA-N -1 3 596.673 5.159 1 0 KKAFHM CN1CCN(C[C@H]2CC[C@H](Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c([O-])c(Cl)c5)cc43)CC2)CC1 ZINC000473152114 562901735 /nfs/dbraw/zinc/90/17/35/562901735.db2.gz HXJYNJVJAWWLIS-UILWBTOOSA-N -1 3 567.561 6.147 1 0 KKAFHM COc1ccc2c3cc(C)c([O-])c(-c4c5[nH]c6c(ccc(OC)c6OC)c5cc(C)c4O)c3[nH]c2c1C=O ZINC000473152692 562901820 /nfs/dbraw/zinc/90/18/20/562901820.db2.gz VINTVEBLWZRPQG-UHFFFAOYSA-N -1 3 510.546 6.489 1 0 KKAFHM CCCCCOc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000473153918 562902016 /nfs/dbraw/zinc/90/20/16/562902016.db2.gz CZHCINKNKMAMFO-OAHLLOKOSA-N -1 3 504.546 5.205 1 0 KKAFHM CC(=O)c1ccc2[nH]c(=NCCCCOc3cc([O-])c4c(=O)cc(-c5ccccc5)oc4c3)sc2c1 ZINC000473154224 562902088 /nfs/dbraw/zinc/90/20/88/562902088.db2.gz FKLUFLSAJRZTLO-UHFFFAOYSA-N -1 3 500.576 5.671 1 0 KKAFHM COc1ccc(CSc2cc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)cc1 ZINC000473154192 562902097 /nfs/dbraw/zinc/90/20/97/562902097.db2.gz FAUNQVXIAOSZHP-MRXNPFEDSA-N -1 3 570.630 5.937 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1ccc(OCCN(C)C)nc1 ZINC000473213418 562903899 /nfs/dbraw/zinc/90/38/99/562903899.db2.gz CTNSVHJCMGFELJ-UHFFFAOYSA-N -1 3 512.397 5.013 1 0 KKAFHM CC(=O)c1cnc2ccc(-c3cc(Cl)c([O-])c(Cl)c3)nc2c1Nc1cnn(C2CCN(C)CC2)c1 ZINC000473213470 562903902 /nfs/dbraw/zinc/90/39/02/562903902.db2.gz HSFDFPJOXXVPJT-UHFFFAOYSA-N -1 3 511.413 5.141 1 0 KKAFHM COc1ccc(CN(C)C(=O)c2ccc(N(Cc3ccccc3)C(=O)c3cc(C)c(O)cc3[O-])cc2)cc1 ZINC000653664711 562905969 /nfs/dbraw/zinc/90/59/69/562905969.db2.gz LMZGACCPFSVIDD-UHFFFAOYSA-N -1 3 510.590 5.534 1 0 KKAFHM Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(CN3CCN(C)CC3)c2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653668899 562906066 /nfs/dbraw/zinc/90/60/66/562906066.db2.gz WNZMTCCSAXSUHG-UHFFFAOYSA-N -1 3 558.082 5.111 1 0 KKAFHM COC(=O)[C@H](CC(C)C)N[P@@](=O)(Oc1ccccc1)Oc1ccc2c(c1)occ(-c1ccc([O-])cc1)c2=O ZINC000653709055 562908042 /nfs/dbraw/zinc/90/80/42/562908042.db2.gz QUYKAYFDNWAECP-IZADFHCISA-N -1 3 537.505 5.909 1 0 KKAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653713260 562908290 /nfs/dbraw/zinc/90/82/90/562908290.db2.gz PTNCGQOWEXTGOB-HXUWFJFHSA-N -1 3 664.703 5.426 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000653765596 562911621 /nfs/dbraw/zinc/91/16/21/562911621.db2.gz JBQLJPNVSMAEBZ-HSZRJFAPSA-N -1 3 555.686 6.684 1 0 KKAFHM CCCc1nc2c(cc(C(=O)N[C@H](C)c3ccccc3)cc2C)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000653765596 562911622 /nfs/dbraw/zinc/91/16/22/562911622.db2.gz JBQLJPNVSMAEBZ-HSZRJFAPSA-N -1 3 555.686 6.684 1 0 KKAFHM COc1cc(CCC(=O)C([O-])=C(O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631338 565163398 /nfs/dbraw/zinc/16/33/98/565163398.db2.gz POEZBDJYIWBIQD-GSYBHBIQSA-N -1 3 640.801 5.300 1 0 biogenic,in-vitro KKAFHM COc1cc(CCC(O)=C([O-])C(=O)C[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc([C@@H]2c3ccnc(N)c3C=C[C@@]2(CO)Cc2ccc[nH]2)c1O ZINC000085631338 565163404 /nfs/dbraw/zinc/16/34/04/565163404.db2.gz POEZBDJYIWBIQD-GSYBHBIQSA-N -1 3 640.801 5.300 1 0 biogenic,in-vitro KKAFHM CCC1C=C(c2cccc(CCc3c(OCCc4ccccc4)c(OC)c(OCCCO)c4c(=O)cc(-c5ccc([O-])cc5)oc34)c2)C=N1 ZINC000150350066 565202511 /nfs/dbraw/zinc/20/25/11/565202511.db2.gz FDDNLTCDKXMYBC-UHFFFAOYSA-N -1 3 658.771 7.685 1 0 biogenic,in-vitro KKAFHM Cc1cc2oc3c(c2c([O-])c1)[C@@]1(C)CC(C)=C[C@@H]2c4c(C)c5c(cc4O[C@](O)(C3=O)[C@@H]21)oc1cc(C)cc(O)c15 ZINC000085741871 571788068 /nfs/dbraw/zinc/78/80/68/571788068.db2.gz QPGYUCLUVQROTF-OAUXGLIBSA-N -1 3 536.580 6.954 1 0 endogenous,in-man KKAFHM