smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCO[C@@H]1C[C@@](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)(C(=O)[O-])C1(C)C ZINC000797714884 939175615 /nfs/dbraw/zinc/17/56/15/939175615.db2.gz MTKQOCDLOZJYAF-YBOAYWMSSA-N -1 0 419.522 2.542 20 10 HFCDRM CS(=O)(=O)CC1CCN(Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000793748555 1078289986 /nfs/dbraw/zinc/28/99/86/1078289986.db2.gz QYIBMZJOPLUSAG-UHFFFAOYSA-N -1 0 403.500 2.585 20 10 HFCDRM C[C@@H]1CN(c2ccc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000788289429 1077099335 /nfs/dbraw/zinc/09/93/35/1077099335.db2.gz VERJTPFYDMJJCI-BETUJISGSA-N -1 0 403.410 2.983 20 10 HFCDRM O=C(NCC(F)(F)C(F)F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000791405597 1077400918 /nfs/dbraw/zinc/40/09/18/1077400918.db2.gz SDTRCXXCQGVAFB-UHFFFAOYSA-N -1 0 412.386 2.885 20 10 HFCDRM CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792163447 1077731611 /nfs/dbraw/zinc/73/16/11/1077731611.db2.gz ZSFDZYFHRGBFJR-UHFFFAOYSA-N -1 0 419.950 2.812 20 10 HFCDRM Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)c(C)n1-c1ccc(Br)cc1 ZINC000790072402 1077921763 /nfs/dbraw/zinc/92/17/63/1077921763.db2.gz LXSJHJSYGBLMOI-UHFFFAOYSA-N -1 0 405.252 2.505 20 10 HFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1ccnc2C(=O)OC ZINC000790411243 1078020808 /nfs/dbraw/zinc/02/08/08/1078020808.db2.gz HPARRBBTTPGSCV-UHFFFAOYSA-N -1 0 402.428 2.927 20 10 HFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000790411927 1078020959 /nfs/dbraw/zinc/02/09/59/1078020959.db2.gz WISFXTNHGWWTBK-UHFFFAOYSA-N -1 0 411.910 2.710 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000807513354 1080721400 /nfs/dbraw/zinc/72/14/00/1080721400.db2.gz MCLANJXOPDUATA-UHFFFAOYSA-N -1 0 420.256 2.594 20 10 HFCDRM CCO[C@@H]1C[C@](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)(C(=O)[O-])C1(C)C ZINC000797714881 939175024 /nfs/dbraw/zinc/17/50/24/939175024.db2.gz MTKQOCDLOZJYAF-LDJQZATESA-N -1 0 419.522 2.542 20 10 HFCDRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000797714847 939175088 /nfs/dbraw/zinc/17/50/88/939175088.db2.gz LXCCTFNHORFYIW-ORAYPTAESA-N -1 0 419.428 2.988 20 10 HFCDRM C[C@@H]1COCC[C@@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000804618074 1078667529 /nfs/dbraw/zinc/66/75/29/1078667529.db2.gz MHSNFSJKUZCYOE-CHWSQXEVSA-N -1 0 410.517 2.657 20 10 HFCDRM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c(C(=O)OC)s1 ZINC000792701864 1077978402 /nfs/dbraw/zinc/97/84/02/1077978402.db2.gz DXEAZXVYPYQFKZ-UHFFFAOYSA-N -1 0 417.486 2.550 20 10 HFCDRM COc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c(F)c1 ZINC000790384473 1078010883 /nfs/dbraw/zinc/01/08/83/1078010883.db2.gz OODHPTGLWFEBFH-UHFFFAOYSA-N -1 0 408.860 2.660 20 10 HFCDRM CCOC(=O)Cn1cccc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1=O ZINC000806367111 1079652982 /nfs/dbraw/zinc/65/29/82/1079652982.db2.gz JPHDRERFUNNDLW-UHFFFAOYSA-N -1 0 414.245 2.746 20 10 HFCDRM NS(=O)(=O)c1ccc(CNC(=S)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000806597619 1079840870 /nfs/dbraw/zinc/84/08/70/1079840870.db2.gz BPUXZTOQXFBCKF-UHFFFAOYSA-N -1 0 420.343 2.511 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(OC2COC2)cc1 ZINC000807511733 1080719059 /nfs/dbraw/zinc/71/90/59/1080719059.db2.gz UFSYEBNGCFDVKJ-UHFFFAOYSA-N -1 0 411.241 2.732 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000807513156 1080720346 /nfs/dbraw/zinc/72/03/46/1080720346.db2.gz IBWPLKQRASMIFU-UHFFFAOYSA-N -1 0 420.256 2.594 20 10 HFCDRM CC(=O)NCc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000807512837 1080720835 /nfs/dbraw/zinc/72/08/35/1080720835.db2.gz LFPKGWARNQIGRY-UHFFFAOYSA-N -1 0 410.257 2.590 20 10 HFCDRM Cc1ccnc(-n2nccc2NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807513884 1080723092 /nfs/dbraw/zinc/72/30/92/1080723092.db2.gz YAHBYZFHEGGSJT-UHFFFAOYSA-N -1 0 420.256 2.843 20 10 HFCDRM Cc1nn(C)c(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)c1Br ZINC000790619364 1078078210 /nfs/dbraw/zinc/07/82/10/1078078210.db2.gz USLWMXBVXDMMBB-TWGQIWQCSA-N -1 0 404.311 2.557 20 10 HFCDRM CCOC(=O)c1sc([N-]S(=O)(=O)c2cnn(C)c2C)nc1-c1ccccc1 ZINC000794016749 1078361619 /nfs/dbraw/zinc/36/16/19/1078361619.db2.gz LTCWCFPXPYRMNU-UHFFFAOYSA-N -1 0 406.489 2.830 20 10 HFCDRM CCCS(=O)(=O)N1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000804914090 1078736652 /nfs/dbraw/zinc/73/66/52/1078736652.db2.gz XROGFUGHBGQJBB-UHFFFAOYSA-N -1 0 424.350 2.702 20 10 HFCDRM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3OC(C)C)cc2CC1 ZINC000790071770 1077921385 /nfs/dbraw/zinc/92/13/85/1077921385.db2.gz QIHNVLNGZYWYES-UHFFFAOYSA-N -1 0 418.515 2.927 20 10 HFCDRM CNS(=O)(=O)c1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)ccc1[O-] ZINC000790408596 1078020072 /nfs/dbraw/zinc/02/00/72/1078020072.db2.gz ZQCINNNOROTGRZ-UHFFFAOYSA-N -1 0 412.533 2.643 20 10 HFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000790411239 1078020833 /nfs/dbraw/zinc/02/08/33/1078020833.db2.gz HOEUKEFIXXIZFE-UHFFFAOYSA-N -1 0 406.460 2.949 20 10 HFCDRM C[S@](=O)Cc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807512620 1080721526 /nfs/dbraw/zinc/72/15/26/1080721526.db2.gz AJCZWLBCEMBZHW-SANMLTNESA-N -1 0 415.298 2.832 20 10 HFCDRM COC(=O)c1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccc1F ZINC000807513287 1080721566 /nfs/dbraw/zinc/72/15/66/1080721566.db2.gz KFCQRJHXZIIUCU-UHFFFAOYSA-N -1 0 415.204 2.880 20 10 HFCDRM COC(=O)c1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(OC)c1 ZINC000805135449 1078932702 /nfs/dbraw/zinc/93/27/02/1078932702.db2.gz LXEXPRPULBCKRY-UHFFFAOYSA-N -1 0 420.270 2.973 20 10 HFCDRM CC(=O)Nc1ncc(S(=O)(=O)[N-]C(=O)c2sccc2-n2c(C)ccc2C)s1 ZINC000805948568 1079348692 /nfs/dbraw/zinc/34/86/92/1079348692.db2.gz JVBDOSBVQALAHI-UHFFFAOYSA-N -1 0 424.529 2.689 20 10 HFCDRM COCn1nc(C)c(S(=O)(=O)[N-]c2nc3c(s2)COc2ccccc2-3)c1C ZINC000789728032 1077762407 /nfs/dbraw/zinc/76/24/07/1077762407.db2.gz QSXMXFHGFQFEND-UHFFFAOYSA-N -1 0 406.489 2.921 20 10 HFCDRM CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)cc1 ZINC000792581525 1077916821 /nfs/dbraw/zinc/91/68/21/1077916821.db2.gz VQJOOKUOXCTHKO-UHFFFAOYSA-N -1 0 418.393 2.828 20 10 HFCDRM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790406592 1078019674 /nfs/dbraw/zinc/01/96/74/1078019674.db2.gz WXNNFGMDNQXVFX-UHFFFAOYSA-N -1 0 409.376 2.829 20 10 HFCDRM O=C(NCCN1C(=O)c2ccccc2C1=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806509788 1079760226 /nfs/dbraw/zinc/76/02/26/1079760226.db2.gz TWXNXXQODHFGTC-UHFFFAOYSA-N -1 0 408.241 2.794 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000807513095 1080720277 /nfs/dbraw/zinc/72/02/77/1080720277.db2.gz TUZFNMUSNJBKIO-UHFFFAOYSA-N -1 0 420.256 2.594 20 10 HFCDRM C[C@](NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)(C(=O)[O-])C1CC1 ZINC000780444726 939122920 /nfs/dbraw/zinc/12/29/20/939122920.db2.gz WIJDSMZJNJDMKX-GOSISDBHSA-N -1 0 415.412 2.595 20 10 HFCDRM O=C([O-])[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCCC1 ZINC000780609600 939140671 /nfs/dbraw/zinc/14/06/71/939140671.db2.gz MMKWCXBPYYYASS-LJQANCHMSA-N -1 0 407.486 2.620 20 10 HFCDRM C[C@@H](NC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000797714253 939174621 /nfs/dbraw/zinc/17/46/21/939174621.db2.gz FTVKGXWBJPPNFE-MWTRTKDXSA-N -1 0 409.486 2.810 20 10 HFCDRM CNS(=O)(=O)c1cccc2c1CCN(Cc1cccc(Br)c1[O-])C2 ZINC000793610848 1078227544 /nfs/dbraw/zinc/22/75/44/1078227544.db2.gz ZCVOOXZGUZNFLL-UHFFFAOYSA-N -1 0 411.321 2.621 20 10 HFCDRM O=C(NCc1cccnc1F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000794007296 1078361262 /nfs/dbraw/zinc/36/12/62/1078361262.db2.gz OQTGPEDLYMABKY-UHFFFAOYSA-N -1 0 407.448 2.719 20 10 HFCDRM Cc1c(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)CN(C)C(=O)N4)cs2)cnn1C ZINC000794031723 1078369728 /nfs/dbraw/zinc/36/97/28/1078369728.db2.gz CDRQUZAOPBUCMB-UHFFFAOYSA-N -1 0 418.504 2.630 20 10 HFCDRM CCC[C@@]1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CCOC1 ZINC000804537631 1078585472 /nfs/dbraw/zinc/58/54/72/1078585472.db2.gz ZWXSYOUSXCTVIM-GOSISDBHSA-N -1 0 410.517 2.944 20 10 HFCDRM CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc4[n-]c(=S)oc4c3)cc2)CC1 ZINC000787320453 1076763004 /nfs/dbraw/zinc/76/30/04/1076763004.db2.gz VEMJEHQCPPIUFW-UHFFFAOYSA-N -1 0 410.499 2.715 20 10 HFCDRM COc1cc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc(Cl)c1O ZINC000787322323 1076765900 /nfs/dbraw/zinc/76/59/00/1076765900.db2.gz OYXODMKIMLDUTM-UHFFFAOYSA-N -1 0 417.893 2.653 20 10 HFCDRM COC(=O)c1cncc(S(=O)(=O)[N-]c2nc(-c3ccc(OC)cc3)cs2)c1 ZINC000788551014 1077197858 /nfs/dbraw/zinc/19/78/58/1077197858.db2.gz WMKDLAWEXSZQGU-UHFFFAOYSA-N -1 0 405.457 2.801 20 10 HFCDRM COc1cc(Cl)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1C(=O)[O-] ZINC000792579331 1077915184 /nfs/dbraw/zinc/91/51/84/1077915184.db2.gz BKSGIXOXHSDHNR-UHFFFAOYSA-N -1 0 412.895 2.934 20 10 HFCDRM CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)ccc1[O-] ZINC000790405508 1078019480 /nfs/dbraw/zinc/01/94/80/1078019480.db2.gz KKCNQUPLSXDXHJ-UHFFFAOYSA-N -1 0 418.496 2.768 20 10 HFCDRM NS(=O)(=O)c1cc(F)cc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000806267054 1079530338 /nfs/dbraw/zinc/53/03/38/1079530338.db2.gz PEFOERZQMWCNPI-UHFFFAOYSA-N -1 0 408.238 2.807 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000807512915 1080720694 /nfs/dbraw/zinc/72/06/94/1080720694.db2.gz OAKNUTYPBXXURL-UHFFFAOYSA-N -1 0 406.229 2.739 20 10 HFCDRM Cc1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccc1C(=O)N(C)C ZINC000807512704 1080722160 /nfs/dbraw/zinc/72/21/60/1080722160.db2.gz FNVCIZVUJZINNK-UHFFFAOYSA-N -1 0 424.284 2.964 20 10 HFCDRM COC(=O)c1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccc1OC ZINC000805136021 1078932351 /nfs/dbraw/zinc/93/23/51/1078932351.db2.gz ZECGTULZPKOSAM-UHFFFAOYSA-N -1 0 420.270 2.973 20 10 HFCDRM C[C@@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C[C@H](C2CC2)O1 ZINC000792494139 1077866010 /nfs/dbraw/zinc/86/60/10/1077866010.db2.gz QACPRBPBRFITNG-SJKOYZFVSA-N -1 0 422.528 2.894 20 10 HFCDRM CO[C@]1(C)CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1 ZINC000792504289 1077869444 /nfs/dbraw/zinc/86/94/44/1077869444.db2.gz HMYJEDOJLXMBSS-GOSISDBHSA-N -1 0 410.517 2.896 20 10 HFCDRM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000790410734 1078020596 /nfs/dbraw/zinc/02/05/96/1078020596.db2.gz BQAMEPBCWAYGEU-UHFFFAOYSA-N -1 0 410.517 2.540 20 10 HFCDRM CN(C)C(=O)c1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807511422 1080716528 /nfs/dbraw/zinc/71/65/28/1080716528.db2.gz MQLGEUKEYXZPKV-UHFFFAOYSA-N -1 0 410.257 2.656 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccccc1N1CCOC1=O ZINC000807512318 1080718613 /nfs/dbraw/zinc/71/86/13/1080718613.db2.gz SDXBGRPTUXSEOW-UHFFFAOYSA-N -1 0 424.240 2.911 20 10 HFCDRM COC(=O)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC000807512621 1080721340 /nfs/dbraw/zinc/72/13/40/1080721340.db2.gz AJMJNHSAYKFICV-UHFFFAOYSA-N -1 0 415.204 2.880 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cccnc1OCC(F)F ZINC000807512706 1080722130 /nfs/dbraw/zinc/72/21/30/1080722130.db2.gz FQBIQZFUZIQORP-UHFFFAOYSA-N -1 0 420.199 2.993 20 10 HFCDRM CC(=O)N1CCc2c1cccc2NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807513850 1080723199 /nfs/dbraw/zinc/72/31/99/1080723199.db2.gz WGKJKELOWBMIKH-UHFFFAOYSA-N -1 0 422.268 2.863 20 10 HFCDRM COc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1 ZINC000797715162 939175784 /nfs/dbraw/zinc/17/57/84/939175784.db2.gz OLSBHHBGMOAIGQ-MGPUTAFESA-N -1 0 413.474 2.718 20 10 HFCDRM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c1 ZINC000793426158 1078179035 /nfs/dbraw/zinc/17/90/35/1078179035.db2.gz AVDBOGXXNXCMBO-UHFFFAOYSA-N -1 0 409.460 2.913 20 10 HFCDRM COCc1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)c1 ZINC000794001204 1078359879 /nfs/dbraw/zinc/35/98/79/1078359879.db2.gz AHZNJTGTRLIBDM-UHFFFAOYSA-N -1 0 419.484 2.939 20 10 HFCDRM C[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000804865115 1078690790 /nfs/dbraw/zinc/69/07/90/1078690790.db2.gz SYMRKSHIUGLJTC-VIFPVBQESA-N -1 0 418.302 2.907 20 10 HFCDRM O=C(NCc1ccnc(N2CCOCC2)c1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000804905608 1078760580 /nfs/dbraw/zinc/76/05/80/1078760580.db2.gz ZYBBZNZZPDGHFB-UHFFFAOYSA-N -1 0 411.289 2.930 20 10 HFCDRM Cc1nn(C)c2ncc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3[O-])cc12 ZINC000805134584 1078931940 /nfs/dbraw/zinc/93/19/40/1078931940.db2.gz DBOPMULMCZIDBS-UHFFFAOYSA-N -1 0 401.275 2.768 20 10 HFCDRM CS(=O)(=O)c1ccccc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805135897 1078932742 /nfs/dbraw/zinc/93/27/42/1078932742.db2.gz ZIWUCDVVORWMKP-UHFFFAOYSA-N -1 0 410.300 2.581 20 10 HFCDRM O=C(C1CCCC1)N1CC(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805135366 1078932824 /nfs/dbraw/zinc/93/28/24/1078932824.db2.gz RRKHOPVKJIYBNU-UHFFFAOYSA-N -1 0 407.319 2.519 20 10 HFCDRM Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792157568 1077725747 /nfs/dbraw/zinc/72/57/47/1077725747.db2.gz YWOGKLUKUKZOLC-UHFFFAOYSA-N -1 0 417.890 2.686 20 10 HFCDRM COCn1nc(C)c(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)CCO4)cs2)c1C ZINC000789726544 1077762256 /nfs/dbraw/zinc/76/22/56/1077762256.db2.gz JMCWSNPUJMOYKD-UHFFFAOYSA-N -1 0 420.516 2.963 20 10 HFCDRM COc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000789940647 1077860381 /nfs/dbraw/zinc/86/03/81/1077860381.db2.gz FLSCJEPDEQAHPO-UHFFFAOYSA-N -1 0 424.450 2.672 20 10 HFCDRM C[C@]1(O)CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CC1 ZINC000792593013 1077927689 /nfs/dbraw/zinc/92/76/89/1077927689.db2.gz FJJSJUXKBWBLGB-SFHVURJKSA-N -1 0 410.517 2.632 20 10 HFCDRM COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807511804 1080719098 /nfs/dbraw/zinc/71/90/98/1080719098.db2.gz VYHVEGQWVGBPNF-UHFFFAOYSA-N -1 0 415.204 2.880 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000807511735 1080719218 /nfs/dbraw/zinc/71/92/18/1080719218.db2.gz UKFXGLAVAALIDA-UHFFFAOYSA-N -1 0 406.229 2.535 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(-n2ccnn2)cc1 ZINC000807511760 1080719772 /nfs/dbraw/zinc/71/97/72/1080719772.db2.gz VATFUZFFTAQUAI-UHFFFAOYSA-N -1 0 406.229 2.535 20 10 HFCDRM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCOC2)c(C)n1-c1ccccc1Br ZINC000776680610 939104519 /nfs/dbraw/zinc/10/45/19/939104519.db2.gz XXWOGTLSTWLGFR-SFHVURJKSA-N -1 0 407.264 2.830 20 10 HFCDRM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)c1 ZINC000793414329 1078160450 /nfs/dbraw/zinc/16/04/50/1078160450.db2.gz DPGOFDILDGYLQY-UHFFFAOYSA-N -1 0 413.835 2.810 20 10 HFCDRM COC(=O)c1cc(S(=O)(=O)[N-]c2nc3c(s2)COc2ccccc2-3)cnc1C ZINC000794003665 1078360167 /nfs/dbraw/zinc/36/01/67/1078360167.db2.gz YUAIBDPMGKFDBD-UHFFFAOYSA-N -1 0 417.468 2.993 20 10 HFCDRM O=C(c1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c[nH]1)N1CCCC1 ZINC000805134515 1078931900 /nfs/dbraw/zinc/93/19/00/1078931900.db2.gz BMCMBDXHDHYOMC-UHFFFAOYSA-N -1 0 418.302 2.742 20 10 HFCDRM COC(=O)c1cncc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000788547978 1077196548 /nfs/dbraw/zinc/19/65/48/1077196548.db2.gz KLBBONLXLOYHPV-UHFFFAOYSA-N -1 0 419.440 2.521 20 10 HFCDRM O=S(=O)(c1c[nH]c2ncccc12)N1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792167311 1077732690 /nfs/dbraw/zinc/73/26/90/1077732690.db2.gz LWMHMELNGXTDMP-UHFFFAOYSA-N -1 0 424.885 2.568 20 10 HFCDRM Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000789740604 1077774766 /nfs/dbraw/zinc/77/47/66/1077774766.db2.gz PUMGQOPLGAALMQ-BXUZGUMPSA-N -1 0 411.447 2.566 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000806383063 1079631843 /nfs/dbraw/zinc/63/18/43/1079631843.db2.gz FDGSSEARBLGNNS-CQSZACIVSA-N -1 0 423.256 2.771 20 10 HFCDRM C[S@@](=O)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC000807511379 1080716726 /nfs/dbraw/zinc/71/67/26/1080716726.db2.gz LVZARFZHVYKBRV-AREMUKBSSA-N -1 0 419.261 2.830 20 10 HFCDRM COC(=O)c1c(F)cccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807511217 1080717423 /nfs/dbraw/zinc/71/74/23/1080717423.db2.gz HSRUBFBYTHSGOY-UHFFFAOYSA-N -1 0 415.204 2.880 20 10 HFCDRM COC(=O)c1csc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807512603 1080721484 /nfs/dbraw/zinc/72/14/84/1080721484.db2.gz ZYLSUDNYILKZDN-UHFFFAOYSA-N -1 0 403.243 2.802 20 10 HFCDRM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc(O)cc2OCC)c1 ZINC000793429127 1078169647 /nfs/dbraw/zinc/16/96/47/1078169647.db2.gz NNYPAQCKFTYJIV-UHFFFAOYSA-N -1 0 409.460 2.915 20 10 HFCDRM CCC[C@]1(NC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CCOC1 ZINC000804537632 1078585418 /nfs/dbraw/zinc/58/54/18/1078585418.db2.gz ZWXSYOUSXCTVIM-SFHVURJKSA-N -1 0 410.517 2.944 20 10 HFCDRM C[C@H]1COCC[C@H]1CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000804618077 1078667507 /nfs/dbraw/zinc/66/75/07/1078667507.db2.gz MHSNFSJKUZCYOE-STQMWFEESA-N -1 0 410.517 2.657 20 10 HFCDRM NC(=O)c1ccccc1N1CC[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000805105733 1078888845 /nfs/dbraw/zinc/88/88/45/1078888845.db2.gz IEBHWWGVVUOBQQ-CYBMUJFWSA-N -1 0 423.300 2.876 20 10 HFCDRM O=S(=O)(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc2c(c1)S(=O)(=O)CC2 ZINC000805134964 1078931462 /nfs/dbraw/zinc/93/14/62/1078931462.db2.gz LTWAVTJDROOMBQ-UHFFFAOYSA-N -1 0 422.311 2.507 20 10 HFCDRM CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000792176379 1077735262 /nfs/dbraw/zinc/73/52/62/1077735262.db2.gz BIPKQHAMPOQJAL-UHFFFAOYSA-N -1 0 411.867 2.767 20 10 HFCDRM C[C@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C[C@H](C2CC2)O1 ZINC000792494140 1077865968 /nfs/dbraw/zinc/86/59/68/1077865968.db2.gz QACPRBPBRFITNG-YVEFUNNKSA-N -1 0 422.528 2.894 20 10 HFCDRM CC(=O)N1CCN(c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3F)c2)CC1 ZINC000790068211 1077920630 /nfs/dbraw/zinc/92/06/30/1077920630.db2.gz NMIVXFZXLCOODW-UHFFFAOYSA-N -1 0 411.886 2.948 20 10 HFCDRM CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3c(F)ccc(O)c3[O-])n2)cc1 ZINC000790070645 1077921164 /nfs/dbraw/zinc/92/11/64/1077921164.db2.gz XVPREYULVVMBPJ-UHFFFAOYSA-N -1 0 423.447 2.984 20 10 HFCDRM Cc1cc(C(=O)NCCc2nc(=O)o[n-]2)c(C)n1-c1cccc(Br)c1 ZINC000790077534 1077924163 /nfs/dbraw/zinc/92/41/63/1077924163.db2.gz SPEBBCNMAGJRCZ-UHFFFAOYSA-N -1 0 405.252 2.505 20 10 HFCDRM COc1cc(Cl)c(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)cc1C(=O)[O-] ZINC000792591345 1077925056 /nfs/dbraw/zinc/92/50/56/1077925056.db2.gz KTBSGHIJHQMFMU-UHFFFAOYSA-N -1 0 424.906 2.908 20 10 HFCDRM Cc1cc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccc1S(N)(=O)=O ZINC000807185474 1080379826 /nfs/dbraw/zinc/37/98/26/1080379826.db2.gz UZHVQSBVKFHVBK-UHFFFAOYSA-N -1 0 418.302 2.654 20 10 HFCDRM CC(=O)N(C)c1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807511604 1080719730 /nfs/dbraw/zinc/71/97/30/1080719730.db2.gz QIAOZOQQKAJDKF-UHFFFAOYSA-N -1 0 410.257 2.937 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cccc2c1OCCC2=O ZINC000807512891 1080720796 /nfs/dbraw/zinc/72/07/96/1080720796.db2.gz NPGUWDSYOKHXLN-UHFFFAOYSA-N -1 0 409.225 2.919 20 10 HFCDRM COCCOc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000807513323 1080721379 /nfs/dbraw/zinc/72/13/79/1080721379.db2.gz YYHQGQSEJVGHGE-UHFFFAOYSA-N -1 0 413.257 2.979 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000807513749 1080723660 /nfs/dbraw/zinc/72/36/60/1080723660.db2.gz UPEVAIKNNCWTJS-UHFFFAOYSA-N -1 0 422.268 2.846 20 10 HFCDRM CN1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604968 1078222537 /nfs/dbraw/zinc/22/25/37/1078222537.db2.gz UDCWHNVAHZOVIH-CQSZACIVSA-N -1 0 414.890 2.595 20 10 HFCDRM COC(=O)c1cc(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c(C)cc1F ZINC000794019520 1078362000 /nfs/dbraw/zinc/36/20/00/1078362000.db2.gz PAYKORNWKICXFJ-UHFFFAOYSA-N -1 0 410.452 2.579 20 10 HFCDRM O=c1[nH]c(=O)c2cc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3[O-])ccc2[nH]1 ZINC000805135998 1078932323 /nfs/dbraw/zinc/93/23/23/1078932323.db2.gz YMGPQSRFXPRLLB-UHFFFAOYSA-N -1 0 416.242 2.532 20 10 HFCDRM CCC(O)(CC)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000788569766 1077209015 /nfs/dbraw/zinc/20/90/15/1077209015.db2.gz JXYCIWWTTGQJKX-UHFFFAOYSA-N -1 0 412.533 2.926 20 10 HFCDRM COCn1nc(C)c(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)OCO4)cs2)c1C ZINC000789727306 1077761734 /nfs/dbraw/zinc/76/17/34/1077761734.db2.gz LBPUVLBYHCKWNX-UHFFFAOYSA-N -1 0 422.488 2.757 20 10 HFCDRM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2F)cc1C ZINC000790394745 1078014357 /nfs/dbraw/zinc/01/43/57/1078014357.db2.gz VHCUWKDIRLSCGM-UHFFFAOYSA-N -1 0 402.469 2.705 20 10 HFCDRM Cc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1S(N)(=O)=O ZINC000806283705 1079546917 /nfs/dbraw/zinc/54/69/17/1079546917.db2.gz BQWDGOSKDRTDLN-UHFFFAOYSA-N -1 0 404.275 2.977 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000807511330 1080717318 /nfs/dbraw/zinc/71/73/18/1080717318.db2.gz KXGYIXWPIKZXIZ-UHFFFAOYSA-N -1 0 406.229 2.535 20 10 HFCDRM CCNC(=O)c1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807511519 1080719756 /nfs/dbraw/zinc/71/97/56/1080719756.db2.gz NOCFAEVOJZGHKQ-UHFFFAOYSA-N -1 0 410.257 2.704 20 10 HFCDRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000797714848 939175013 /nfs/dbraw/zinc/17/50/13/939175013.db2.gz LXCCTFNHORFYIW-YJYMSZOUSA-N -1 0 419.428 2.988 20 10 HFCDRM CC(=O)Nc1ccc(-c2csc([N-]S(=O)(=O)c3cnn(C)c3C)n2)c(F)c1 ZINC000794017587 1078361860 /nfs/dbraw/zinc/36/18/60/1078361860.db2.gz QQQHCGVCQPZTMY-UHFFFAOYSA-N -1 0 409.468 2.750 20 10 HFCDRM O=C1COc2ccc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3[O-])cc2N1 ZINC000805135848 1078932379 /nfs/dbraw/zinc/93/23/79/1078932379.db2.gz UWOBWIDXWXHEFF-UHFFFAOYSA-N -1 0 403.243 2.508 20 10 HFCDRM CCOC(=O)N1CCC(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000805135695 1078932709 /nfs/dbraw/zinc/93/27/09/1078932709.db2.gz QLDDSWSQTZRUIQ-UHFFFAOYSA-N -1 0 411.307 2.739 20 10 HFCDRM COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)s1 ZINC000788090573 1077055967 /nfs/dbraw/zinc/05/59/67/1077055967.db2.gz KMVGRRQEFJCVRL-UHFFFAOYSA-N -1 0 424.529 2.966 20 10 HFCDRM C[C@@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C[C@@H](C2CC2)O1 ZINC000792494137 1077865954 /nfs/dbraw/zinc/86/59/54/1077865954.db2.gz QACPRBPBRFITNG-PXAZEXFGSA-N -1 0 422.528 2.894 20 10 HFCDRM Cc1nc(Cn2nnc(NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])c2C)no1 ZINC000806531273 1079803112 /nfs/dbraw/zinc/80/31/12/1079803112.db2.gz JBUXOGQYRHRIFH-UHFFFAOYSA-N -1 0 412.237 2.660 20 10 HFCDRM COC(=O)Cc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807513049 1080720773 /nfs/dbraw/zinc/72/07/73/1080720773.db2.gz RASMMXKPVJIZSG-UHFFFAOYSA-N -1 0 411.241 2.669 20 10 HFCDRM Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807512553 1080720982 /nfs/dbraw/zinc/72/09/82/1080720982.db2.gz YIVBKOZQVJRFFL-CYBMUJFWSA-N -1 0 413.261 2.539 20 10 HFCDRM C[S@@](=O)Cc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807512619 1080721323 /nfs/dbraw/zinc/72/13/23/1080721323.db2.gz AJCZWLBCEMBZHW-AREMUKBSSA-N -1 0 415.298 2.832 20 10 HFCDRM COC(=O)c1sccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807513363 1080722024 /nfs/dbraw/zinc/72/20/24/1080722024.db2.gz MHEXJYTWZLHKQM-UHFFFAOYSA-N -1 0 403.243 2.802 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000807513369 1080722034 /nfs/dbraw/zinc/72/20/34/1080722034.db2.gz ZPKHXUUKKOMPJP-UHFFFAOYSA-N -1 0 406.229 2.535 20 10 HFCDRM COc1ccc([C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])c(OC)c1 ZINC000797715783 939176671 /nfs/dbraw/zinc/17/66/71/939176671.db2.gz UIHSFJMIEPKJHB-SFHVURJKSA-N -1 0 405.426 2.534 20 10 HFCDRM COC(=O)COc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000805135987 1078932396 /nfs/dbraw/zinc/93/23/96/1078932396.db2.gz YFNLXHSILDOFNW-UHFFFAOYSA-N -1 0 420.270 2.729 20 10 HFCDRM Cn1c(=O)oc2cc(S(=O)(=O)NCc3cc(Cl)cc(Cl)c3[O-])ccc21 ZINC000805135765 1078932728 /nfs/dbraw/zinc/93/27/28/1078932728.db2.gz SQIOCWVOSXFREM-UHFFFAOYSA-N -1 0 403.243 2.622 20 10 HFCDRM C[C@@]1(O)CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)CC1 ZINC000792593012 1077927446 /nfs/dbraw/zinc/92/74/46/1077927446.db2.gz FJJSJUXKBWBLGB-GOSISDBHSA-N -1 0 410.517 2.632 20 10 HFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 ZINC000790409397 1078020485 /nfs/dbraw/zinc/02/04/85/1078020485.db2.gz PRFDNTLPCSPLAV-UHFFFAOYSA-N -1 0 411.392 2.678 20 10 HFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000790412179 1078020881 /nfs/dbraw/zinc/02/08/81/1078020881.db2.gz ZHPNTOFZVFKCPM-UHFFFAOYSA-N -1 0 402.472 2.817 20 10 HFCDRM O=C(NCCS(=O)(=O)c1ccccc1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806231812 1079511290 /nfs/dbraw/zinc/51/12/90/1079511290.db2.gz ONMSAMPGXFJGAZ-UHFFFAOYSA-N -1 0 403.287 2.972 20 10 HFCDRM C[S@](=O)c1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807511279 1080717461 /nfs/dbraw/zinc/71/74/61/1080717461.db2.gz JYROCTVINWCNTF-VWLOTQADSA-N -1 0 401.271 2.691 20 10 HFCDRM CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000807513461 1080720330 /nfs/dbraw/zinc/72/03/30/1080720330.db2.gz ODBSTUSWRVSNIB-UHFFFAOYSA-N -1 0 410.257 2.704 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC000807512911 1080720854 /nfs/dbraw/zinc/72/08/54/1080720854.db2.gz NZKAMRMTPHAAJO-NSHDSACASA-N -1 0 422.268 2.557 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000807513382 1080722218 /nfs/dbraw/zinc/72/22/18/1080722218.db2.gz ZRVKAORRZYYFNS-UHFFFAOYSA-N -1 0 424.240 2.911 20 10 HFCDRM C[C@H](NC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000797714252 939174744 /nfs/dbraw/zinc/17/47/44/939174744.db2.gz FTVKGXWBJPPNFE-HJPURHCSSA-N -1 0 409.486 2.810 20 10 HFCDRM COc1ccc([C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1 ZINC000797715161 939175659 /nfs/dbraw/zinc/17/56/59/939175659.db2.gz OLSBHHBGMOAIGQ-FOIQADDNSA-N -1 0 413.474 2.718 20 10 HFCDRM CN1CCN(Cc2cccc(Br)c2[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793605514 1078223529 /nfs/dbraw/zinc/22/35/29/1078223529.db2.gz VHYUNPCAJSBFSN-CQSZACIVSA-N -1 0 414.344 2.795 20 10 HFCDRM COc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)c(O)c1 ZINC000794379056 1078431295 /nfs/dbraw/zinc/43/12/95/1078431295.db2.gz IZBAUOVTALHLOL-UHFFFAOYSA-N -1 0 404.366 2.592 20 10 HFCDRM CS(=O)(=O)c1cccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000805135915 1078932771 /nfs/dbraw/zinc/93/27/71/1078932771.db2.gz 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CNC(=O)c1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1C ZINC000807511727 1080719114 /nfs/dbraw/zinc/71/91/14/1080719114.db2.gz UBYXOJNAHUYGEQ-UHFFFAOYSA-N -1 0 410.257 2.622 20 10 HFCDRM COCCOc1ccccc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807512857 1080720717 /nfs/dbraw/zinc/72/07/17/1080720717.db2.gz MGUDZFMSYCFEKV-UHFFFAOYSA-N -1 0 413.257 2.979 20 10 HFCDRM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(C)n1-c1cccc(Br)c1 ZINC000776680432 939103774 /nfs/dbraw/zinc/10/37/74/939103774.db2.gz BEPKMDCZBOPCQH-GOSISDBHSA-N -1 0 407.264 2.830 20 10 HFCDRM CCO[C@@H]1C[C@](NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)(C(=O)[O-])C1(C)C ZINC000797714883 939175029 /nfs/dbraw/zinc/17/50/29/939175029.db2.gz MTKQOCDLOZJYAF-REDKUUPNSA-N -1 0 419.522 2.542 20 10 HFCDRM C[C@@H](NC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)c1ccc(N2CCOCC2)cc1 ZINC000797714845 939175044 /nfs/dbraw/zinc/17/50/44/939175044.db2.gz LXCCTFNHORFYIW-BFUOFWGJSA-N -1 0 419.428 2.988 20 10 HFCDRM O=C(N[C@@H](CO)CC1CCC1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O 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COC(=O)c1cncc(S(=O)(=O)[N-]c2nc(-c3ccccc3OC)cs2)c1 ZINC000788545005 1077195384 /nfs/dbraw/zinc/19/53/84/1077195384.db2.gz NWNZVFQCNAYXEV-UHFFFAOYSA-N -1 0 405.457 2.801 20 10 HFCDRM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 ZINC000791437818 1077407545 /nfs/dbraw/zinc/40/75/45/1077407545.db2.gz LWYHKATYNALAKB-UHFFFAOYSA-N -1 0 401.513 2.993 20 10 HFCDRM COc1ccc(S(=O)(=O)N2CCN(Cc3c([O-])ccc(Cl)c3F)CC2)cc1 ZINC000792157323 1077725607 /nfs/dbraw/zinc/72/56/07/1077725607.db2.gz UIRXDMQXPMBJNR-UHFFFAOYSA-N -1 0 414.886 2.700 20 10 HFCDRM NC(=O)C1CCN(c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3F)c2)CC1 ZINC000789734979 1077742787 /nfs/dbraw/zinc/74/27/87/1077742787.db2.gz LBGAOIQFGYDFCZ-UHFFFAOYSA-N -1 0 411.886 2.982 20 10 HFCDRM CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc([O-])c(S(=O)(=O)NC)c2)cc1 ZINC000790406173 1078019115 /nfs/dbraw/zinc/01/91/15/1078019115.db2.gz DGNFOBRZPJLQBH-UHFFFAOYSA-N -1 0 412.533 2.789 20 10 HFCDRM CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)cc1[N-]S(=O)(=O)CC ZINC000790415707 1078021410 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CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)ccc1[O-] ZINC000790407072 1078019620 /nfs/dbraw/zinc/01/96/20/1078019620.db2.gz SBRNEZGGHIRGFJ-UHFFFAOYSA-N -1 0 418.496 2.768 20 10 HFCDRM CNS(=O)(=O)c1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000806353581 1079625708 /nfs/dbraw/zinc/62/57/08/1079625708.db2.gz KDLBOZRADWWOIJ-UHFFFAOYSA-N -1 0 424.331 2.668 20 10 HFCDRM CNC(=O)c1ccc(C)c(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807512849 1080720755 /nfs/dbraw/zinc/72/07/55/1080720755.db2.gz LTYCRCTUCQGNRR-UHFFFAOYSA-N -1 0 410.257 2.622 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000807512724 1080722012 /nfs/dbraw/zinc/72/20/12/1080722012.db2.gz GSBGZQOUVWGXOL-UHFFFAOYSA-N -1 0 424.219 2.674 20 10 HFCDRM COCCOc1cccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000807512746 1080722176 /nfs/dbraw/zinc/72/21/76/1080722176.db2.gz HNOAGNPTZSLZAC-UHFFFAOYSA-N -1 0 413.257 2.979 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000807513858 1080723132 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VYCLOOKECHTTAN-UHFFFAOYSA-N -1 0 412.533 2.690 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000807511588 1080719690 /nfs/dbraw/zinc/71/96/90/1080719690.db2.gz PRAPYMHWESQMAT-UHFFFAOYSA-N -1 0 424.240 2.911 20 10 HFCDRM CN1CCOc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3[O-])cc21 ZINC000807512630 1080721585 /nfs/dbraw/zinc/72/15/85/1080721585.db2.gz AVJKPFXONKVZTK-UHFFFAOYSA-N -1 0 410.257 2.783 20 10 HFCDRM CN1CCc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3[O-])cc2C1=O ZINC000807513741 1080723742 /nfs/dbraw/zinc/72/37/42/1080723742.db2.gz UOTXBYNWXZDHKV-UHFFFAOYSA-N -1 0 422.268 2.582 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@]1(N2CCOCC2)CCSC1 ZINC000804975834 1078811004 /nfs/dbraw/zinc/81/10/04/1078811004.db2.gz BIHNUDMPRDDLFK-QGZVFWFLSA-N -1 0 420.362 2.706 20 10 HFCDRM CC(=O)NCc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000805134955 1078931495 /nfs/dbraw/zinc/93/14/95/1078931495.db2.gz DNVUSABKHGILJY-UHFFFAOYSA-N -1 0 403.287 2.814 20 10 HFCDRM CCOC(=O)c1cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1C ZINC000805135378 1078932810 /nfs/dbraw/zinc/93/28/10/1078932810.db2.gz RWRRNVKYRCIISR-UHFFFAOYSA-N -1 0 407.275 2.693 20 10 HFCDRM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccc(F)cc1 ZINC000789740139 1077773892 /nfs/dbraw/zinc/77/38/92/1077773892.db2.gz ZVHXFLKEJLWBHC-NSHDSACASA-N -1 0 412.870 2.929 20 10 HFCDRM CO[C@@]1(C)CCCN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)C1 ZINC000792504290 1077869771 /nfs/dbraw/zinc/86/97/71/1077869771.db2.gz HMYJEDOJLXMBSS-SFHVURJKSA-N -1 0 410.517 2.896 20 10 HFCDRM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C(F)(F)F ZINC000790068556 1077920605 /nfs/dbraw/zinc/92/06/05/1077920605.db2.gz NRGVYEPYQIZUFV-UHFFFAOYSA-N -1 0 419.333 2.697 20 10 HFCDRM O=S(=O)([N-]c1cccc(N2CCS(=O)(=O)CC2)c1)c1cc(Cl)ccc1F ZINC000790051836 1077930850 /nfs/dbraw/zinc/93/08/50/1077930850.db2.gz AHBLGRIEYKOTTC-UHFFFAOYSA-N -1 0 418.899 2.515 20 10 HFCDRM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2OCC)cc([N+](=O)[O-])c1C ZINC000790409296 1078020408 /nfs/dbraw/zinc/02/04/08/1078020408.db2.gz NBIOPFDRIDAGLF-UHFFFAOYSA-N -1 0 424.431 2.985 20 10 HFCDRM COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807511106 1080717291 /nfs/dbraw/zinc/71/72/91/1080717291.db2.gz FRCRPVNQDVMULD-UHFFFAOYSA-N -1 0 414.201 2.871 20 10 HFCDRM NC(=O)c1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])ccc1Cl ZINC000807512952 1080720364 /nfs/dbraw/zinc/72/03/64/1080720364.db2.gz DIJGWLQAMYTOFX-UHFFFAOYSA-N -1 0 416.648 2.706 20 10 HFCDRM COc1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC000807513083 1080720898 /nfs/dbraw/zinc/72/08/98/1080720898.db2.gz SLWGOJHMVPYTBK-UHFFFAOYSA-N -1 0 414.201 2.871 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000807512632 1080721359 /nfs/dbraw/zinc/72/13/59/1080721359.db2.gz AYGSCFSGMKDOAT-UHFFFAOYSA-N -1 0 408.241 2.691 20 10 HFCDRM Cn1cc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c(C(F)(F)F)n1 ZINC000807513614 1080724233 /nfs/dbraw/zinc/72/42/33/1080724233.db2.gz QSGFVGFPBWCKMN-UHFFFAOYSA-N -1 0 411.167 2.706 20 10 HFCDRM C[C@H](NC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000797714254 939174525 /nfs/dbraw/zinc/17/45/25/939174525.db2.gz FTVKGXWBJPPNFE-QMHKHESXSA-N -1 0 409.486 2.810 20 10 HFCDRM COc1ccc([C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C(=O)[O-])c(OC)c1 ZINC000797715782 939176589 /nfs/dbraw/zinc/17/65/89/939176589.db2.gz UIHSFJMIEPKJHB-GOSISDBHSA-N -1 0 405.426 2.534 20 10 HFCDRM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCc1cc(Br)ccc1O ZINC000804739132 1078597510 /nfs/dbraw/zinc/59/75/10/1078597510.db2.gz RXICIVFALGJYOB-UHFFFAOYSA-N -1 0 417.256 2.595 20 10 HFCDRM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805135112 1078931156 /nfs/dbraw/zinc/93/11/56/1078931156.db2.gz GFLXPWXLCCYIGE-UHFFFAOYSA-N -1 0 424.327 2.889 20 10 HFCDRM NC(=O)c1cc(Cl)cc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000805135931 1078932347 /nfs/dbraw/zinc/93/23/47/1078932347.db2.gz WOCDSBPOOCSLCJ-UHFFFAOYSA-N -1 0 409.678 2.930 20 10 HFCDRM CC(=O)NCCc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000805135281 1078932782 /nfs/dbraw/zinc/93/27/82/1078932782.db2.gz IBNPPBZOAPGQCC-UHFFFAOYSA-N -1 0 417.314 2.856 20 10 HFCDRM O=C1c2ccccc2C(=O)N1C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)CCO1 ZINC000792169047 1077733005 /nfs/dbraw/zinc/73/30/05/1077733005.db2.gz INSZFDNYFSEVRG-LBPRGKRZSA-N -1 0 404.825 2.682 20 10 HFCDRM O=C(NCCOC(F)(F)F)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000789856429 1077840184 /nfs/dbraw/zinc/84/01/84/1077840184.db2.gz BTLBLZUNEXFBMB-UHFFFAOYSA-N -1 0 410.395 2.521 20 10 HFCDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c1OC ZINC000790068207 1077920531 /nfs/dbraw/zinc/92/05/31/1077920531.db2.gz NMDCLHVMQPOWBR-UHFFFAOYSA-N -1 0 413.835 2.844 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccn(CCN2CCOCC2)n1 ZINC000806286625 1079531338 /nfs/dbraw/zinc/53/13/38/1079531338.db2.gz DGBQPJIRLBOQKX-UHFFFAOYSA-N -1 0 414.293 2.549 20 10 HFCDRM Cc1cc(S(N)(=O)=O)ccc1CNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807183186 1080377866 /nfs/dbraw/zinc/37/78/66/1080377866.db2.gz NHECTIGLLTYVCO-UHFFFAOYSA-N -1 0 418.302 2.654 20 10 HFCDRM COC(=O)c1ccsc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807511887 1080719192 /nfs/dbraw/zinc/71/91/92/1080719192.db2.gz ZONDPEJCUATZAU-UHFFFAOYSA-N -1 0 403.243 2.802 20 10 HFCDRM Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807512554 1080720995 /nfs/dbraw/zinc/72/09/95/1080720995.db2.gz YIVBKOZQVJRFFL-ZDUSSCGKSA-N -1 0 413.261 2.539 20 10 HFCDRM COc1ccc(CNC(=O)c2ccccc2[N-]S(=O)(=O)C(F)(F)F)c(O)c1 ZINC000794377029 1078430732 /nfs/dbraw/zinc/43/07/32/1078430732.db2.gz KPZUWYYCSRVZNG-UHFFFAOYSA-N -1 0 404.366 2.592 20 10 HFCDRM CNS(=O)(=O)c1cccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000804908108 1078731293 /nfs/dbraw/zinc/73/12/93/1078731293.db2.gz CVBHBDSDWFZELX-UHFFFAOYSA-N -1 0 418.302 2.607 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000804975832 1078811110 /nfs/dbraw/zinc/81/11/10/1078811110.db2.gz BIHNUDMPRDDLFK-KRWDZBQOSA-N -1 0 420.362 2.706 20 10 HFCDRM CC(=O)NCCc1ccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000805135450 1078932682 /nfs/dbraw/zinc/93/26/82/1078932682.db2.gz LXKHDHFSQZCUMU-UHFFFAOYSA-N -1 0 423.343 2.918 20 10 HFCDRM CCS(=O)(=O)c1cccc(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000805135638 1078932816 /nfs/dbraw/zinc/93/28/16/1078932816.db2.gz WAUPOTJOHGJFQN-UHFFFAOYSA-N -1 0 424.327 2.971 20 10 HFCDRM CON(C)C(=O)[C@H](CCSC)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805216473 1078990911 /nfs/dbraw/zinc/99/09/11/1078990911.db2.gz LIWIPUDPQFVKDF-LBPRGKRZSA-N -1 0 410.323 2.640 20 10 HFCDRM O=C(NCCN1CCN(Cc2c([O-])ccc(Cl)c2F)CC1)c1ccccc1F ZINC000792168055 1077733063 /nfs/dbraw/zinc/73/30/63/1077733063.db2.gz ZZZWELGJHOHACH-UHFFFAOYSA-N -1 0 409.864 2.871 20 10 HFCDRM COc1ccccc1NC(=O)CN1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000792169128 1077733431 /nfs/dbraw/zinc/73/34/31/1077733431.db2.gz JFMJNZKYARCNGI-UHFFFAOYSA-N -1 0 407.873 2.950 20 10 HFCDRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000789737130 1077771687 /nfs/dbraw/zinc/77/16/87/1077771687.db2.gz BXOHFEABSHVKLP-LLVKDONJSA-N -1 0 412.870 2.929 20 10 HFCDRM Cc1cccc(CCNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000792495232 1077866157 /nfs/dbraw/zinc/86/61/57/1077866157.db2.gz LHLRMGHEJYWAPD-UHFFFAOYSA-N -1 0 417.512 2.930 20 10 HFCDRM O=C(Cc1cccc(F)c1)NCCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000806647067 1079902603 /nfs/dbraw/zinc/90/26/03/1079902603.db2.gz JSICAZKXIKORJE-UHFFFAOYSA-N -1 0 414.264 2.996 20 10 HFCDRM C[C@H](NC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000797716540 939177724 /nfs/dbraw/zinc/17/77/24/939177724.db2.gz YUDVJHRATITOGM-IFXJQAMLSA-N -1 0 401.438 2.848 20 10 HFCDRM C[C@@H](NC(=O)N[C@H](C(=O)[O-])c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000797716541 939177870 /nfs/dbraw/zinc/17/78/70/939177870.db2.gz YUDVJHRATITOGM-KUHUBIRLSA-N -1 0 401.438 2.848 20 10 HFCDRM Cc1nn(C)c(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)c1Br ZINC000790619362 1078078171 /nfs/dbraw/zinc/07/81/71/1078078171.db2.gz USLWMXBVXDMMBB-RMKNXTFCSA-N 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C[C@@H]1CN(c2ccc(CNC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000788289430 1077099318 /nfs/dbraw/zinc/09/93/18/1077099318.db2.gz VERJTPFYDMJJCI-CHWSQXEVSA-N -1 0 403.410 2.983 20 10 HFCDRM COC(=O)c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c(Br)c1 ZINC000789142872 1077431671 /nfs/dbraw/zinc/43/16/71/1077431671.db2.gz MPRDIVFOLNMVHC-NTEUORMPSA-N -1 0 401.216 2.697 20 10 HFCDRM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)c1ccc(F)cc1 ZINC000789740137 1077774313 /nfs/dbraw/zinc/77/43/13/1077774313.db2.gz ZVHXFLKEJLWBHC-LLVKDONJSA-N -1 0 412.870 2.929 20 10 HFCDRM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1OC ZINC000790071620 1077921484 /nfs/dbraw/zinc/92/14/84/1077921484.db2.gz MUJNFAPUROIVSA-UHFFFAOYSA-N -1 0 401.824 2.650 20 10 HFCDRM C[S@](=O)c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC000807511381 1080716441 /nfs/dbraw/zinc/71/64/41/1080716441.db2.gz LVZARFZHVYKBRV-SANMLTNESA-N -1 0 419.261 2.830 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccnn1-c1ccncc1 ZINC000807511686 1080719079 /nfs/dbraw/zinc/71/90/79/1080719079.db2.gz BKRNSRBRVJIZLT-UHFFFAOYSA-N -1 0 406.229 2.535 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000807511745 1080719783 /nfs/dbraw/zinc/71/97/83/1080719783.db2.gz UMHHWASGJOGOLS-UHFFFAOYSA-N -1 0 420.256 2.594 20 10 HFCDRM Cn1c(=O)ccc2ccc(NC(=O)C(=O)NCc3cc(Cl)cc(Cl)c3[O-])cc21 ZINC000807513237 1080720254 /nfs/dbraw/zinc/72/02/54/1080720254.db2.gz VMNRWPRQJLJPMR-UHFFFAOYSA-N -1 0 420.252 2.806 20 10 HFCDRM Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c(C)n1-c1ccc(Br)cc1 ZINC000776681141 939104481 /nfs/dbraw/zinc/10/44/81/939104481.db2.gz QLOUMDCFNYIVKD-GOSISDBHSA-N -1 0 407.264 2.830 20 10 HFCDRM Cc1c(S(=O)(=O)[N-]c2nc(-c3ccc(-n4cccn4)cc3)cs2)cnn1C ZINC000794020132 1078362397 /nfs/dbraw/zinc/36/23/97/1078362397.db2.gz VGINHDHKWKQYMA-UHFFFAOYSA-N -1 0 400.489 2.839 20 10 HFCDRM COC(=O)c1ccc(OC)c(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000805135871 1078932791 /nfs/dbraw/zinc/93/27/91/1078932791.db2.gz YYZAVLMYSSKISC-UHFFFAOYSA-N -1 0 420.270 2.973 20 10 HFCDRM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)c(C)c1Cl ZINC000788491931 1077179040 /nfs/dbraw/zinc/17/90/40/1077179040.db2.gz HDTJIFUQKKBWJS-UHFFFAOYSA-N -1 0 419.864 2.790 20 10 HFCDRM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2nc(-c3cnn(C)c3)cs2)c1 ZINC000788842569 1077316996 /nfs/dbraw/zinc/31/69/96/1077316996.db2.gz JXTSTZJIOPNXHE-UHFFFAOYSA-N -1 0 406.489 2.830 20 10 HFCDRM COc1ccc(-n2c(C)cc(C(=O)[N-]S(=O)(=O)c3ncccc3F)c2C)cc1 ZINC000791942399 1077602227 /nfs/dbraw/zinc/60/22/27/1077602227.db2.gz SNTFHVLBPVRFRK-UHFFFAOYSA-N -1 0 403.435 2.756 20 10 HFCDRM O=C1CN(Cc2cc(Br)cc(Br)c2[O-])CN1CC1CC1 ZINC000789776410 1077808932 /nfs/dbraw/zinc/80/89/32/1077808932.db2.gz PDXHOEPHSQHYMX-UHFFFAOYSA-N -1 0 404.102 2.929 20 10 HFCDRM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC000790055499 1077933407 /nfs/dbraw/zinc/93/34/07/1077933407.db2.gz VQLGUHVKWWPRQO-UHFFFAOYSA-N -1 0 410.879 2.764 20 10 HFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000790409056 1078020052 /nfs/dbraw/zinc/02/00/52/1078020052.db2.gz LSARLPABCLSMEM-UHFFFAOYSA-N -1 0 400.478 2.552 20 10 HFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O ZINC000790409669 1078020252 /nfs/dbraw/zinc/02/02/52/1078020252.db2.gz TYNSLHHPIVENPN-UHFFFAOYSA-N -1 0 419.908 2.790 20 10 HFCDRM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC000790410953 1078020465 /nfs/dbraw/zinc/02/04/65/1078020465.db2.gz FYENLPRESZNFLB-UHFFFAOYSA-N -1 0 418.393 2.884 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000806435586 1079695601 /nfs/dbraw/zinc/69/56/01/1079695601.db2.gz MPAYVLHKGNSTOC-NSHDSACASA-N -1 0 419.290 2.577 20 10 HFCDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])C(=O)Nc1ccc(-n2nccn2)cc1 ZINC000807511374 1080716785 /nfs/dbraw/zinc/71/67/85/1080716785.db2.gz LTKBJSRYYIZDJS-UHFFFAOYSA-N -1 0 406.229 2.535 20 10 HFCDRM Cc1nccn1-c1ccc(NC(=O)C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000807511826 1080719174 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