smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)cc([C@@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C(=O)[O-])c1 ZINC000581048868 939775786 /nfs/dbraw/zinc/77/57/86/939775786.db2.gz LNIKULVALAOMNC-HXUWFJFHSA-N -2 3 406.442 3.722 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)C3CCCCC3)c2)c1 ZINC000553149923 1013109337 /nfs/dbraw/zinc/10/93/37/1013109337.db2.gz QHSNBMWUSIYYJY-UHFFFAOYSA-N -2 3 422.478 3.860 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)ccc1Br ZINC000013262385 962381402 /nfs/dbraw/zinc/38/14/02/962381402.db2.gz HVMDCUAUPJZXCO-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1CC(=O)[O-] ZINC000538089757 1013662823 /nfs/dbraw/zinc/66/28/23/1013662823.db2.gz GBDZYKYCXTZWKA-UHFFFAOYSA-N -2 3 421.515 3.747 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000047949055 968375311 /nfs/dbraw/zinc/37/53/11/968375311.db2.gz AXCVKZPWCIUDBQ-UHFFFAOYSA-N -2 3 409.769 3.866 20 0 HHADHL COCCOc1c(Cl)cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1Cl ZINC000538297533 1013833068 /nfs/dbraw/zinc/83/30/68/1013833068.db2.gz ZOAKXVBFILAMOU-UHFFFAOYSA-N -2 3 422.286 3.534 20 0 HHADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccc2ccccc21 ZINC000237506777 970305592 /nfs/dbraw/zinc/30/55/92/970305592.db2.gz WLQGTQHQWGPPKF-JTQLQIEISA-N -2 3 424.272 3.933 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c(Cl)c1 ZINC000317469726 972656386 /nfs/dbraw/zinc/65/63/86/972656386.db2.gz BVTYROFAJZOKJT-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000318521340 972663651 /nfs/dbraw/zinc/66/36/51/972663651.db2.gz RMXGHJBFBBNILO-UHFFFAOYSA-N -2 3 412.233 3.596 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Br)c(Cl)c1 ZINC000320646718 972684177 /nfs/dbraw/zinc/68/41/77/972684177.db2.gz JEKNBYTXABAKTD-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000325025855 972728292 /nfs/dbraw/zinc/72/82/92/972728292.db2.gz KETKWTYIHBUQBS-LBPRGKRZSA-N -2 3 416.293 3.806 20 0 HHADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000327064593 972753625 /nfs/dbraw/zinc/75/36/25/972753625.db2.gz CBSKGDABUYYSHP-UWVGGRQHSA-N -2 3 401.834 3.917 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)c(Cl)c1 ZINC000390536889 972823974 /nfs/dbraw/zinc/82/39/74/972823974.db2.gz YYMQXKWIOHYURZ-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000427957309 975366076 /nfs/dbraw/zinc/36/60/76/975366076.db2.gz QPKJTGQZSQKNDW-UHFFFAOYSA-N -2 3 414.458 3.571 20 0 HHADHL O=S(=O)([N-]c1cc([O-])c(Br)cc1Br)c1cccs1 ZINC000430976081 977922527 /nfs/dbraw/zinc/92/25/27/977922527.db2.gz QTPAVBZLCCNPLN-UHFFFAOYSA-N -2 3 413.112 3.780 20 0 HHADHL Cc1ncsc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436589465 981462767 /nfs/dbraw/zinc/46/27/67/981462767.db2.gz PREGZPWXNOATFF-UHFFFAOYSA-N -2 3 423.903 3.864 20 0 HHADHL CN(CCCCNC(=O)c1ccc(Cl)cc1[O-])C(=O)c1ccc(Cl)cc1[O-] ZINC000436603338 981469107 /nfs/dbraw/zinc/46/91/07/981469107.db2.gz HOWQIIRDOIVSLF-UHFFFAOYSA-N -2 3 411.285 3.687 20 0 HHADHL O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000436719232 981529520 /nfs/dbraw/zinc/52/95/20/981529520.db2.gz CLJBXHSDIUYHBD-UHFFFAOYSA-N -2 3 416.886 3.776 20 0 HHADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])[C@H]1CC1(C)C ZINC000436728231 981533772 /nfs/dbraw/zinc/53/37/72/981533772.db2.gz JDIRVSPYTKNSAL-KRWDZBQOSA-N -2 3 408.907 3.717 20 0 HHADHL CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436749413 981544586 /nfs/dbraw/zinc/54/45/86/981544586.db2.gz YSCFCUUDYGNGLC-CABCVRRESA-N -2 3 418.515 3.605 20 0 HHADHL CN(CC(C)(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436790696 981562725 /nfs/dbraw/zinc/56/27/25/981562725.db2.gz HNZATQYBHYBBBW-UHFFFAOYSA-N -2 3 410.923 3.965 20 0 HHADHL CC(C)N(C(=O)c1c([O-])cccc1F)C1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000436967746 981654493 /nfs/dbraw/zinc/65/44/93/981654493.db2.gz YMFTXWRWBBZJKS-UHFFFAOYSA-N -2 3 418.440 3.531 20 0 HHADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000438791279 983072629 /nfs/dbraw/zinc/07/26/29/983072629.db2.gz FUSVGQDBZNUFOF-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1F ZINC000442239598 984760681 /nfs/dbraw/zinc/76/06/81/984760681.db2.gz UKCXDOPRNNTUTE-UHFFFAOYSA-N -2 3 423.796 3.802 20 0 HHADHL CC[C@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)cc2O1 ZINC000442831528 985234634 /nfs/dbraw/zinc/23/46/34/985234634.db2.gz ALHPEVVTCHRMBC-OAQYLSRUSA-N -2 3 419.499 3.937 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cnccc3C(F)(F)F)c2)n1 ZINC000442844413 985243029 /nfs/dbraw/zinc/24/30/29/985243029.db2.gz RSNMGVZVZULQQR-UHFFFAOYSA-N -2 3 424.404 3.626 20 0 HHADHL COc1ccc(Cn2nc(C)c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c2C)cc1 ZINC000443456888 985627718 /nfs/dbraw/zinc/62/77/18/985627718.db2.gz SZOLOGHUGQYLCT-PKNBQFBNSA-N -2 3 422.485 3.548 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)CC(C)C)c1 ZINC000462772611 985708993 /nfs/dbraw/zinc/70/89/93/985708993.db2.gz BFCRVDJMUIZUKA-AWEZNQCLSA-N -2 3 406.504 3.822 20 0 HHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)c(C(=O)[O-])c3)cc2)n[nH]1 ZINC000471128569 989237300 /nfs/dbraw/zinc/23/73/00/989237300.db2.gz CYQJVXJLYRKHEC-UHFFFAOYSA-N -2 3 401.444 3.626 20 0 HHADHL CC(C)CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cc1 ZINC000467075183 992380802 /nfs/dbraw/zinc/38/08/02/992380802.db2.gz OGYUFMXBRHEMNZ-UHFFFAOYSA-N -2 3 411.451 3.515 20 0 HHADHL CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000467081055 992386808 /nfs/dbraw/zinc/38/68/08/992386808.db2.gz XPIXNHQBQBKNHU-UHFFFAOYSA-N -2 3 421.515 3.664 20 0 HHADHL CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)cc2c1C ZINC000473402727 994257585 /nfs/dbraw/zinc/25/75/85/994257585.db2.gz BOMCILGEGBWPBG-UHFFFAOYSA-N -2 3 421.402 3.556 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)cc1 ZINC000475837408 996405750 /nfs/dbraw/zinc/40/57/50/996405750.db2.gz WHTBXKSEUSTTHH-UHFFFAOYSA-N -2 3 411.304 3.806 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2C)c(C)c1 ZINC000476427620 996896415 /nfs/dbraw/zinc/89/64/15/996896415.db2.gz IXMTUXKCBNLMSA-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2c(C)ccc(Br)c2C(=O)[O-])c(C)c1 ZINC000484924783 997299613 /nfs/dbraw/zinc/29/96/13/997299613.db2.gz HNPLROXWOXLAAK-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C(F)(F)F)c3)ccc2O1 ZINC000484943665 997320403 /nfs/dbraw/zinc/32/04/03/997320403.db2.gz HDBDDDLWZTUXFM-VIFPVBQESA-N -2 3 401.362 3.528 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc(C(=O)[O-])c1C ZINC000479466768 999430124 /nfs/dbraw/zinc/43/01/24/999430124.db2.gz IVKHCCXMBGCHIU-UHFFFAOYSA-N -2 3 423.462 3.897 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N(C)C2(C)CCCC2)c1 ZINC000490680092 999992582 /nfs/dbraw/zinc/99/25/82/999992582.db2.gz GDRAAAABBOKCGN-UHFFFAOYSA-N -2 3 418.515 3.606 20 0 HHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000504657839 1000312749 /nfs/dbraw/zinc/31/27/49/1000312749.db2.gz JSHZAIICQIPVCS-UHFFFAOYSA-N -2 3 407.488 3.766 20 0 HHADHL COc1cccc(-c2nn(C(C)(C)C)cc2C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000504720351 1000340466 /nfs/dbraw/zinc/34/04/66/1000340466.db2.gz HZSIYLHAJGNDFN-MDZDMXLPSA-N -2 3 422.485 3.915 20 0 HHADHL Cc1nc(C=Cc2cccc(Br)c2OC(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504730668 1000345433 /nfs/dbraw/zinc/34/54/33/1000345433.db2.gz NHBHUJYCSRRWFJ-AATRIKPKSA-N -2 3 415.190 3.652 20 0 HHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)cc1 ZINC000507023443 1001769153 /nfs/dbraw/zinc/76/91/53/1001769153.db2.gz UGQNDWIKQGCTBV-UHFFFAOYSA-N -2 3 411.451 3.659 20 0 HHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)c(C)c1 ZINC000509571533 1003953069 /nfs/dbraw/zinc/95/30/69/1003953069.db2.gz SMRRPNGOGCNASL-UHFFFAOYSA-N -2 3 411.451 3.577 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1F ZINC000509629606 1003992219 /nfs/dbraw/zinc/99/22/19/1003992219.db2.gz VZYREWFATDMAAG-UHFFFAOYSA-N -2 3 405.806 3.663 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000512728758 1004522922 /nfs/dbraw/zinc/52/29/22/1004522922.db2.gz IJWVGDGZMWITKH-UHFFFAOYSA-N -3 3 417.361 3.519 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(Br)c1 ZINC000512780673 1004555961 /nfs/dbraw/zinc/55/59/61/1004555961.db2.gz DYRGUDZUZIBDSG-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000531117216 1006003346 /nfs/dbraw/zinc/00/33/46/1006003346.db2.gz DNJGIGRBKRGZSU-QVDMIQRCSA-N -2 3 416.499 3.576 20 0 HHADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000515573814 1006544190 /nfs/dbraw/zinc/54/41/90/1006544190.db2.gz FYURZERJGDHOJQ-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1OC ZINC000532846741 1007232403 /nfs/dbraw/zinc/23/24/03/1007232403.db2.gz RUNIAUDPFDIGFR-UHFFFAOYSA-N -2 3 419.377 3.530 20 0 HHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cc2)n1 ZINC000518820116 1008432349 /nfs/dbraw/zinc/43/23/49/1008432349.db2.gz WQNIJPYAWPPPCG-UHFFFAOYSA-N -2 3 410.282 3.853 20 0 HHADHL O=C([N-]c1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(F)c(F)c([O-])c1F ZINC000543552751 1009156469 /nfs/dbraw/zinc/15/64/69/1009156469.db2.gz DPOOGNSJNODKTN-UHFFFAOYSA-N -2 3 413.153 3.609 20 0 HHADHL C[C@H](Cc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1)C(=O)[O-] ZINC000543661071 1009269617 /nfs/dbraw/zinc/26/96/17/1009269617.db2.gz DLPGAXZHWOSCTG-CYBMUJFWSA-N -2 3 418.446 3.686 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c(C)c1CC(=O)[O-] ZINC000543865652 1009433303 /nfs/dbraw/zinc/43/33/03/1009433303.db2.gz DCGJUVCSTMLHPT-UHFFFAOYSA-N -2 3 415.515 3.970 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1N(C)C ZINC000547577543 1010354089 /nfs/dbraw/zinc/35/40/89/1010354089.db2.gz LTWGTXWNRCNNID-UHFFFAOYSA-N -2 3 402.394 3.579 20 0 HHADHL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000547615818 1010364382 /nfs/dbraw/zinc/36/43/82/1010364382.db2.gz VDYYPGCCEHLKLG-UHFFFAOYSA-N -2 3 420.231 3.843 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1Br ZINC000548557694 1010664963 /nfs/dbraw/zinc/66/49/63/1010664963.db2.gz LNSPUTFECFSADT-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCC(C)(C)C2)c1 ZINC000541057549 1011698408 /nfs/dbraw/zinc/69/84/08/1011698408.db2.gz OWESXLWCGAPIOM-AWEZNQCLSA-N -2 3 418.515 3.966 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCC(C)(C)C2)c1 ZINC000541057550 1011698480 /nfs/dbraw/zinc/69/84/80/1011698480.db2.gz OWESXLWCGAPIOM-CQSZACIVSA-N -2 3 418.515 3.966 20 0 HHADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c(C(=O)[O-])c1 ZINC000523585866 1012136988 /nfs/dbraw/zinc/13/69/88/1012136988.db2.gz GYZUIFPMGWIUPD-UHFFFAOYSA-N -2 3 403.378 3.744 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)c1 ZINC000537197338 1012615239 /nfs/dbraw/zinc/61/52/39/1012615239.db2.gz ZFBVDWZQNGIFED-UHFFFAOYSA-N -2 3 419.503 3.610 20 0 HHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3F)c1)CCC2 ZINC000590263520 1073718317 /nfs/dbraw/zinc/71/83/17/1073718317.db2.gz YFPFPPUENKNYRE-UHFFFAOYSA-N -2 3 403.353 3.832 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])c2)n1 ZINC000550106659 452921963 /nfs/dbraw/zinc/92/19/63/452921963.db2.gz HHRMFJYQXOUOBU-UHFFFAOYSA-N -3 3 405.863 3.571 20 0 HHADHL CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3[O-])c2)n1 ZINC000550106659 452921970 /nfs/dbraw/zinc/92/19/70/452921970.db2.gz HHRMFJYQXOUOBU-UHFFFAOYSA-N -2 3 405.863 3.571 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)cc1C ZINC000542235372 1013191434 /nfs/dbraw/zinc/19/14/34/1013191434.db2.gz IAISSVUBEBULOT-UHFFFAOYSA-N -2 3 418.496 3.550 20 0 HHADHL O=C(Nc1nccs1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000014064122 962414714 /nfs/dbraw/zinc/41/47/14/962414714.db2.gz WUKJDEFTTZYPGJ-UHFFFAOYSA-N -2 3 409.876 3.555 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)o2)c1 ZINC000021446851 963469378 /nfs/dbraw/zinc/46/93/78/963469378.db2.gz ZLEWRLCAJUALOA-UHFFFAOYSA-N -2 3 422.846 3.700 20 0 HHADHL COc1ccc(NC(=O)c2ccccc2[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000029796606 965503321 /nfs/dbraw/zinc/50/33/21/965503321.db2.gz JDXUZEGDQLMVKL-UHFFFAOYSA-N -2 3 416.430 3.593 20 0 HHADHL CCc1cc(=O)[n-]c(SCc2cccc(CSc3nc(CC)cc(=O)[n-]3)c2)n1 ZINC000111895660 969812363 /nfs/dbraw/zinc/81/23/63/969812363.db2.gz CXFZKKOAEUSKPG-UHFFFAOYSA-N -2 3 414.556 3.563 20 0 HHADHL COc1cc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cc(Br)c1[O-] ZINC000141557856 970120625 /nfs/dbraw/zinc/12/06/25/970120625.db2.gz XGMHVZNNJDSIGK-BJMVGYQFSA-N -2 3 407.216 3.975 20 0 HHADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccs1 ZINC000317270316 972654824 /nfs/dbraw/zinc/65/48/24/972654824.db2.gz PTWKJXFFOVEMJJ-JTQLQIEISA-N -2 3 400.692 3.813 20 0 HHADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000319304215 972669637 /nfs/dbraw/zinc/66/96/37/972669637.db2.gz GUFCLVIFDAFALV-UWVGGRQHSA-N -2 3 412.733 3.660 20 0 HHADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000321972072 972696499 /nfs/dbraw/zinc/69/64/99/972696499.db2.gz OGHSOTUWIAUVAB-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000322793352 972703015 /nfs/dbraw/zinc/70/30/15/972703015.db2.gz MQDVETVOMLYKML-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000325025854 972728036 /nfs/dbraw/zinc/72/80/36/972728036.db2.gz KETKWTYIHBUQBS-GFCCVEGCSA-N -2 3 416.293 3.806 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(Br)c2)c(C)c1CC(=O)[O-] ZINC000392565626 972853791 /nfs/dbraw/zinc/85/37/91/972853791.db2.gz JOOYNNQPNXCPME-UHFFFAOYSA-N -2 3 412.305 3.802 20 0 HHADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1F ZINC000427334691 975060241 /nfs/dbraw/zinc/06/02/41/975060241.db2.gz BFILNMIAIDUUHX-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CCCc1c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cnn1-c1ccc(C)cc1 ZINC000431897949 978585550 /nfs/dbraw/zinc/58/55/50/978585550.db2.gz IEMAPGOLJBLONA-UHFFFAOYSA-N -2 3 401.488 3.648 20 0 HHADHL Cc1c(Br)ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1F ZINC000432641626 978922259 /nfs/dbraw/zinc/92/22/59/978922259.db2.gz FMLNPWVTWLAVAO-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL CCc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000433805898 979587986 /nfs/dbraw/zinc/58/79/86/979587986.db2.gz ZMYQGGVKUMCCGG-UHFFFAOYSA-N -2 3 416.524 3.851 20 0 HHADHL CN(CC1CCC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436558906 981443339 /nfs/dbraw/zinc/44/33/39/981443339.db2.gz RMKOSNKLWUUIEW-UHFFFAOYSA-N -2 3 408.907 3.719 20 0 HHADHL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C[C@@H]1C ZINC000436622147 981479158 /nfs/dbraw/zinc/47/91/58/981479158.db2.gz YVURNGYYFBEUNU-KGLIPLIRSA-N -2 3 422.934 3.965 20 0 HHADHL CN(C(=O)c1c([O-])cccc1F)[C@@H]1CCCC[C@@H]1N(C)C(=O)c1c([O-])cccc1F ZINC000436904760 981610932 /nfs/dbraw/zinc/61/09/32/981610932.db2.gz ZWULJEJMQHPTNB-IYBDPMFKSA-N -2 3 418.440 3.531 20 0 HHADHL Cc1nc2cc(Cl)c([N-]S(=O)(=O)c3cc(C)cc(C(=O)[O-])c3O)cc2s1 ZINC000436950789 981641355 /nfs/dbraw/zinc/64/13/55/981641355.db2.gz CVVKMQNNBRGWOE-UHFFFAOYSA-N -2 3 412.876 3.771 20 0 HHADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3)nc2)c1 ZINC000436997588 981676167 /nfs/dbraw/zinc/67/61/67/981676167.db2.gz WQVHJFITXYPNOY-UHFFFAOYSA-N -3 3 420.830 3.732 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1Cl ZINC000438790398 983072077 /nfs/dbraw/zinc/07/20/77/983072077.db2.gz HSMNQIKZZPEQRG-UHFFFAOYSA-N -2 3 409.769 3.780 20 0 HHADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000438806035 983082471 /nfs/dbraw/zinc/08/24/71/983082471.db2.gz CTYFMTQKVIDESU-UHFFFAOYSA-N -2 3 419.846 3.730 20 0 HHADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(CC)c(C(=O)[O-])c3)ccc2[nH]1 ZINC000440826925 983925372 /nfs/dbraw/zinc/92/53/72/983925372.db2.gz WEUVPHNGTQJXRI-UHFFFAOYSA-N -2 3 401.488 3.967 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)ccc1OCC(=O)[O-] ZINC000441733319 984420755 /nfs/dbraw/zinc/42/07/55/984420755.db2.gz VRLFGWMNWHPAEH-UHFFFAOYSA-N -2 3 417.405 3.754 20 0 HHADHL COc1ccc(OCCS(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1 ZINC000443363405 985525242 /nfs/dbraw/zinc/52/52/42/985525242.db2.gz BVAQEIBMRGUBHS-UHFFFAOYSA-N -2 3 420.270 3.521 20 0 HHADHL Cc1nn(Cc2ccc(C)cc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443443038 985603357 /nfs/dbraw/zinc/60/33/57/985603357.db2.gz MNTKDOPQPSBONR-LUAWRHEFSA-N -2 3 406.486 3.848 20 0 HHADHL Cc1nn(Cc2ccc(C)cc2)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443443039 985603506 /nfs/dbraw/zinc/60/35/06/985603506.db2.gz MNTKDOPQPSBONR-PKNBQFBNSA-N -2 3 406.486 3.848 20 0 HHADHL Cc1ccc(NC(=O)c2cncc([O-])c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000468800519 986509353 /nfs/dbraw/zinc/50/93/53/986509353.db2.gz CFVZBZPTWYNUDK-UHFFFAOYSA-N -2 3 417.874 3.802 20 0 HHADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C)c(C)c(C(=O)[O-])c3)cc2F)n1 ZINC000471115955 989219960 /nfs/dbraw/zinc/21/99/60/989219960.db2.gz KFYSBHUEFIOIOU-UHFFFAOYSA-N -2 3 417.462 3.744 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(NC(=O)c2cccs2)cc1 ZINC000466271349 991516855 /nfs/dbraw/zinc/51/68/55/991516855.db2.gz ULWYKTAGDZTCJK-UHFFFAOYSA-N -2 3 416.480 3.808 20 0 HHADHL CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3F)ccc2s1 ZINC000475790525 996373106 /nfs/dbraw/zinc/37/31/06/996373106.db2.gz AJTXWNLEFQRZCF-UHFFFAOYSA-N -2 3 423.443 3.716 20 0 HHADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000484843637 997208933 /nfs/dbraw/zinc/20/89/33/997208933.db2.gz CVRPMLGOFWCEIY-CYBMUJFWSA-N -2 3 402.299 3.748 20 0 HHADHL COc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2F)c(Cl)cc1C(=O)[O-] ZINC000485265005 997658324 /nfs/dbraw/zinc/65/83/24/997658324.db2.gz JWKUIIYZLGWTNN-UHFFFAOYSA-N -2 3 417.842 3.774 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCC2(C)C)c1 ZINC000477604378 998320812 /nfs/dbraw/zinc/32/08/12/998320812.db2.gz DMOMVVNQYCSOIU-OAHLLOKOSA-N -2 3 418.515 3.966 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)ccc1OCC(F)(F)F ZINC000489759684 999832793 /nfs/dbraw/zinc/83/27/93/999832793.db2.gz YGXOGMMXCHBDNC-UHFFFAOYSA-N -2 3 407.341 3.574 20 0 HHADHL Cc1nc(C=Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504719942 1000340434 /nfs/dbraw/zinc/34/04/34/1000340434.db2.gz FZDGCHPEEOLKPH-DAXSKMNVSA-N -2 3 418.375 3.552 20 0 HHADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2-c2cccnc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728767 1000344180 /nfs/dbraw/zinc/34/41/80/1000344180.db2.gz GTWSWCGAAQCMAZ-KTKRTIGZSA-N -2 3 413.437 3.536 20 0 HHADHL Cc1nc(C=Cc2cc(Br)ccc2OC(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504733095 1000346937 /nfs/dbraw/zinc/34/69/37/1000346937.db2.gz TVSNQCPKFLMCQC-GORDUTHDSA-N -2 3 415.190 3.652 20 0 HHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1Cl ZINC000494571791 1000559452 /nfs/dbraw/zinc/55/94/52/1000559452.db2.gz UOWUBJZRSBDKMX-UHFFFAOYSA-N -2 3 409.769 3.780 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC(C)(C)C2CC2)c1 ZINC000497094546 1001268711 /nfs/dbraw/zinc/26/87/11/1001268711.db2.gz OWYHRVRIKMVNGT-UHFFFAOYSA-N -2 3 418.515 3.966 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1NC(=O)C(C)(C)C ZINC000506603192 1001468806 /nfs/dbraw/zinc/46/88/06/1001468806.db2.gz VBTGSVXNCFPHQP-UHFFFAOYSA-N -2 3 404.488 3.787 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)ccc1OCCCC(=O)[O-] ZINC000497960782 1001580568 /nfs/dbraw/zinc/58/05/68/1001580568.db2.gz RXINXEDIFQRJBM-UHFFFAOYSA-N -2 3 419.499 3.828 20 0 HHADHL COc1cc(S(=O)(=O)[N-]c2cc(C)c(F)cc2Cl)c(Cl)cc1C(=O)[O-] ZINC000507564933 1002170158 /nfs/dbraw/zinc/17/01/58/1002170158.db2.gz KTZXJBBJCANBOK-UHFFFAOYSA-N -2 3 408.234 3.949 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CCC(=O)OC(C)(C)C)c2)ccc1C(=O)[O-] ZINC000507979078 1002508291 /nfs/dbraw/zinc/50/82/91/1002508291.db2.gz KYTJHYIYKSDOGS-UHFFFAOYSA-N -2 3 419.499 3.768 20 0 HHADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Br)cc1[O-] ZINC000518806518 1008426526 /nfs/dbraw/zinc/42/65/26/1008426526.db2.gz ZMBAXEWCGXDTPY-UHFFFAOYSA-N -2 3 413.293 3.559 20 0 HHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(COC3CCCCC3)c2)cc1 ZINC000520018299 1009173186 /nfs/dbraw/zinc/17/31/86/1009173186.db2.gz NAGHMMRVVZBAAJ-UHFFFAOYSA-N -2 3 419.499 3.800 20 0 HHADHL Cc1cccc(C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000547568579 1010351363 /nfs/dbraw/zinc/35/13/63/1010351363.db2.gz PELIOUAJIJGLOB-CYBMUJFWSA-N -2 3 402.299 3.524 20 0 HHADHL O=C([O-])[C@@H](Cc1cccc(Cl)c1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000547617361 1010365301 /nfs/dbraw/zinc/36/53/01/1010365301.db2.gz TUQZTQMXQTWQIH-CYBMUJFWSA-N -2 3 408.690 3.621 20 0 HHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2c(F)cccc2F)c1Cl ZINC000547934036 1010472890 /nfs/dbraw/zinc/47/28/90/1010472890.db2.gz ZWMFTVUUSSKSKF-ZDUSSCGKSA-N -2 3 410.225 3.684 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1Br ZINC000548592286 1010675260 /nfs/dbraw/zinc/67/52/60/1010675260.db2.gz QKBCGQIGHXQUHP-ZWNOBZJWSA-N -2 3 418.334 3.559 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccnc3C(F)(F)F)c2)n1 ZINC000522027728 1010763657 /nfs/dbraw/zinc/76/36/57/1010763657.db2.gz CRTQRSHUNZLQAP-UHFFFAOYSA-N -2 3 424.404 3.626 20 0 HHADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1 ZINC000551995440 1012039705 /nfs/dbraw/zinc/03/97/05/1012039705.db2.gz GJFVXZOOUGAWGP-LLVKDONJSA-N -2 3 401.834 3.785 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000729666737 1071779461 /nfs/dbraw/zinc/77/94/61/1071779461.db2.gz XRVDTZSJXKULCZ-UHFFFAOYSA-N -2 3 406.460 3.841 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000589939310 1073423472 /nfs/dbraw/zinc/42/34/72/1073423472.db2.gz RYJRUCCIQUDAOH-UHFFFAOYSA-N -2 3 420.270 3.900 20 0 HHADHL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)cc2)cs1 ZINC000031667669 966080723 /nfs/dbraw/zinc/08/07/23/966080723.db2.gz OQQNWKLOKLRDFU-UHFFFAOYSA-N -2 3 404.469 3.632 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000538298358 1013833572 /nfs/dbraw/zinc/83/35/72/1013833572.db2.gz LFNHUDDVUSPKNQ-UHFFFAOYSA-N -2 3 416.430 3.593 20 0 HHADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccc(Cl)c1 ZINC000236984928 970201200 /nfs/dbraw/zinc/20/12/00/970201200.db2.gz XPDLSAFAJBALGH-JTQLQIEISA-N -2 3 422.684 3.823 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2Cl)sc1Br ZINC000320203462 972678060 /nfs/dbraw/zinc/67/80/60/972678060.db2.gz OOYSDHQLWJWDMW-LLVKDONJSA-N -2 3 424.725 3.577 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Br)c2)cc1C(=O)[O-] ZINC000324556733 972723439 /nfs/dbraw/zinc/72/34/39/972723439.db2.gz GZPOZBDBPYBWSI-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1C ZINC000325362494 972732090 /nfs/dbraw/zinc/73/20/90/972732090.db2.gz HYFHHHLDBITJGN-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc(C(=O)[O-])c1F ZINC000325698942 972734074 /nfs/dbraw/zinc/73/40/74/972734074.db2.gz APZHSELZPGXYAY-UHFFFAOYSA-N -2 3 420.231 3.843 20 0 HHADHL Cc1ncccc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436582562 981459219 /nfs/dbraw/zinc/45/92/19/981459219.db2.gz DULNKMAZKXEHTN-UHFFFAOYSA-N -2 3 417.874 3.802 20 0 HHADHL CC(C)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436589850 981463335 /nfs/dbraw/zinc/46/33/35/981463335.db2.gz QYLQMQOKEGQBRV-CQSZACIVSA-N -2 3 422.934 3.965 20 0 HHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1cc(F)ccc1[O-] ZINC000436755718 981547169 /nfs/dbraw/zinc/54/71/69/981547169.db2.gz MKTGHUSEUMALRK-UHFFFAOYSA-N -2 3 404.394 3.724 20 0 HHADHL CCN(CC(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436757807 981548599 /nfs/dbraw/zinc/54/85/99/981548599.db2.gz UUENXNXKSPHQQU-UHFFFAOYSA-N -2 3 410.923 3.965 20 0 HHADHL Cc1ccc(NC(=O)c2c([O-])cccc2F)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000436821401 981576358 /nfs/dbraw/zinc/57/63/58/981576358.db2.gz WALKSPYIULDGPJ-UHFFFAOYSA-N -2 3 400.431 3.893 20 0 HHADHL CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1c([O-])cccc1F ZINC000436944547 981637013 /nfs/dbraw/zinc/63/70/13/981637013.db2.gz NBODWPBKRXUVCU-UHFFFAOYSA-N -2 3 414.458 3.604 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)cc1C(=O)[O-] ZINC000460823836 982575809 /nfs/dbraw/zinc/57/58/09/982575809.db2.gz LRJMHGHXGVLDCQ-UHFFFAOYSA-N -2 3 409.435 3.655 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1C(=O)[O-] ZINC000440822659 983922603 /nfs/dbraw/zinc/92/26/03/983922603.db2.gz PWBGUZOSTNRNMR-UHFFFAOYSA-N -2 3 405.863 3.587 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@]2(C)C(C)C)c1 ZINC000481690164 994549930 /nfs/dbraw/zinc/54/99/30/994549930.db2.gz DJGNMOHNMXRFBN-YCRPNKLZSA-N -2 3 418.515 3.822 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)c1 ZINC000481690159 994550377 /nfs/dbraw/zinc/55/03/77/994550377.db2.gz DJGNMOHNMXRFBN-BTYIYWSLSA-N -2 3 418.515 3.822 20 0 HHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3Cl)cc2)n1 ZINC000485418252 997852262 /nfs/dbraw/zinc/85/22/62/997852262.db2.gz PFNKAXRUHIEYQB-UHFFFAOYSA-N -2 3 410.282 3.853 20 0 HHADHL Cc1nc(C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000504734114 1000346658 /nfs/dbraw/zinc/34/66/58/1000346658.db2.gz WXPCCKCDOZKYMC-ZHACJKMWSA-N -2 3 406.486 3.830 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(Cl)c2)ccc1OCC(=O)[O-] ZINC000500289676 1003602003 /nfs/dbraw/zinc/60/20/03/1003602003.db2.gz LWSQBEGKLFVRAW-UHFFFAOYSA-N -2 3 421.805 3.514 20 0 HHADHL O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000500656482 1003868644 /nfs/dbraw/zinc/86/86/44/1003868644.db2.gz ZFKZSNJATITPCI-UHFFFAOYSA-N -2 3 414.414 3.577 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cccs3)c2)ccc1OCC(=O)[O-] ZINC000509553084 1003941414 /nfs/dbraw/zinc/94/14/14/1003941414.db2.gz HAARPMJYCILFTQ-UHFFFAOYSA-N -2 3 403.481 3.988 20 0 HHADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)cc2)n1 ZINC000512786245 1004559382 /nfs/dbraw/zinc/55/93/82/1004559382.db2.gz XIVKMQCXFILZIL-UHFFFAOYSA-N -2 3 413.455 3.693 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000539399021 1007706212 /nfs/dbraw/zinc/70/62/12/1007706212.db2.gz FUIGEHPAZVRDGK-UHFFFAOYSA-N -2 3 422.846 3.700 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1C(F)(F)F ZINC000533629015 1007933307 /nfs/dbraw/zinc/93/33/07/1007933307.db2.gz YSYRUAKFQHVGKU-UHFFFAOYSA-N -2 3 415.389 3.993 20 0 HHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(OCc4ccncc4)cc3)c1)CCC2 ZINC000517924716 1008058695 /nfs/dbraw/zinc/05/86/95/1008058695.db2.gz FRKNDYLLZDUTFY-UHFFFAOYSA-N -2 3 424.478 3.648 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)(F)F)cc2)c(C)c1CC(=O)[O-] ZINC000543863801 1009430933 /nfs/dbraw/zinc/43/09/33/1009430933.db2.gz CKGGYGBTTVGOQN-UHFFFAOYSA-N -2 3 417.405 3.938 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)c(C)c1CC(=O)[O-] ZINC000543864998 1009431822 /nfs/dbraw/zinc/43/18/22/1009431822.db2.gz MMIKWVKEIFHCLB-UHFFFAOYSA-N -2 3 405.516 3.965 20 0 HHADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000544096066 1009705260 /nfs/dbraw/zinc/70/52/60/1009705260.db2.gz GQIMBBOBZKQUED-UHFFFAOYSA-N -2 3 418.446 3.830 20 0 HHADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000551466993 1010603375 /nfs/dbraw/zinc/60/33/75/1010603375.db2.gz MNOZYTQRNCXVBU-UHFFFAOYSA-N -2 3 402.925 3.636 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000551474153 1010609216 /nfs/dbraw/zinc/60/92/16/1010609216.db2.gz UCYQNNRZQCVJNI-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)cc1 ZINC000522594255 1011098902 /nfs/dbraw/zinc/09/89/02/1011098902.db2.gz IMAPNFVRVLNWPP-HHHXNRCGSA-N -2 3 421.540 3.767 20 0 HHADHL C[C@H](C1CC1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000552110462 1012126288 /nfs/dbraw/zinc/12/62/88/1012126288.db2.gz NXDBARGKBVOUMV-GFCCVEGCSA-N -2 3 408.907 3.717 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3cccnc3)cc2)cc(C(=O)[O-])c1C ZINC000760364143 1072280227 /nfs/dbraw/zinc/28/02/27/1072280227.db2.gz YJYYWGNAOPZMHO-UHFFFAOYSA-N -2 3 412.467 3.776 20 0 HHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CCSc1ccccc1)C(=O)[O-] ZINC000555129289 1073180411 /nfs/dbraw/zinc/18/04/11/1073180411.db2.gz NYTYVKLDKDRUDQ-INIZCTEOSA-N -2 3 423.487 3.794 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)c(C)c1 ZINC000589148539 1073461801 /nfs/dbraw/zinc/46/18/01/1073461801.db2.gz CYMQOYWDWNOHPN-UHFFFAOYSA-N -2 3 413.879 3.701 20 0 HHADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3cccc(C)c3C)cc2)cc(=O)[n-]1 ZINC000566833472 939357490 /nfs/dbraw/zinc/35/74/90/939357490.db2.gz GCFYFFYTGFKNGT-FQEVSTJZSA-N -2 3 406.442 3.722 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1Cc1ccccc1 ZINC000013239884 962378606 /nfs/dbraw/zinc/37/86/06/962378606.db2.gz VOBOQBXSDVBTFK-UHFFFAOYSA-N -2 3 415.442 3.924 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c(Cl)c1 ZINC000013264899 962380993 /nfs/dbraw/zinc/38/09/93/962380993.db2.gz ZTVFGHWNCIVNKM-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1OCCC ZINC000013362628 962391084 /nfs/dbraw/zinc/39/10/84/962391084.db2.gz SJWNGHUHEADNSS-UHFFFAOYSA-N -2 3 411.451 3.902 20 0 HHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c1C ZINC000024432584 963998597 /nfs/dbraw/zinc/99/85/97/963998597.db2.gz OJSXMFOUBFYKFX-UHFFFAOYSA-N -2 3 404.488 3.787 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CSC(C)(C)C)c1 ZINC000028697972 965166327 /nfs/dbraw/zinc/16/63/27/965166327.db2.gz ANOMYUIUWQIJPZ-UHFFFAOYSA-N -2 3 424.544 3.672 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(Cl)c2)cc1 ZINC000060165992 966071700 /nfs/dbraw/zinc/07/17/00/966071700.db2.gz MDGRBTUEMGWFFZ-UHFFFAOYSA-N -2 3 418.858 3.813 20 0 HHADHL N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000032631488 966298042 /nfs/dbraw/zinc/29/80/42/966298042.db2.gz XVIFVFQIJZPGDH-NRFANRHFSA-N -2 3 422.462 3.606 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)ccc1OCC(=O)[O-] ZINC000063476593 966871297 /nfs/dbraw/zinc/87/12/97/966871297.db2.gz CKULEECEHCXGFO-UHFFFAOYSA-N -2 3 405.472 3.581 20 0 HHADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000065223764 967412707 /nfs/dbraw/zinc/41/27/07/967412707.db2.gz OWYFBSNQAUWUQN-UHFFFAOYSA-N -2 3 413.455 3.693 20 0 HHADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1c(Cl)cc(Cl)cc1Cl ZINC000114605538 969827741 /nfs/dbraw/zinc/82/77/41/969827741.db2.gz QYJOYLSUTYGHQG-UHFFFAOYSA-N -2 3 404.666 3.628 20 0 HHADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1c(Cl)cc(Cl)cc1Cl ZINC000114605538 969827747 /nfs/dbraw/zinc/82/77/47/969827747.db2.gz QYJOYLSUTYGHQG-UHFFFAOYSA-N -2 3 404.666 3.628 20 0 HHADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccc(Cl)cc1 ZINC000236984878 970201000 /nfs/dbraw/zinc/20/10/00/970201000.db2.gz DJMPOYUYCXYFRU-JTQLQIEISA-N -2 3 422.684 3.823 20 0 HHADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Br)c1 ZINC000320626540 972684362 /nfs/dbraw/zinc/68/43/62/972684362.db2.gz CYECRMNNWMNGTC-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc(C(=O)[O-])c1F ZINC000321525971 972691783 /nfs/dbraw/zinc/69/17/83/972691783.db2.gz IFTRTPZNLAQGAU-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000324536292 972722295 /nfs/dbraw/zinc/72/22/95/972722295.db2.gz QOYZKTIBUMTTFZ-UHFFFAOYSA-N -2 3 414.277 3.737 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)cc1 ZINC000325688334 972734398 /nfs/dbraw/zinc/73/43/98/972734398.db2.gz RWFGEVSNOJORBL-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000325777163 972735225 /nfs/dbraw/zinc/73/52/25/972735225.db2.gz IBIDSJWHVMNENH-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(Br)c2C)cc1C(=O)[O-] ZINC000326068731 972737908 /nfs/dbraw/zinc/73/79/08/972737908.db2.gz GBARPZYLSSMDPW-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC[C@@H](CC(=O)[O-])C(F)(F)F)c1Cl ZINC000327887140 972763913 /nfs/dbraw/zinc/76/39/13/972763913.db2.gz DRYUMTMDVPBTRZ-VIFPVBQESA-N -2 3 422.252 3.932 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2C)cc1C(=O)[O-] ZINC000392091149 972848054 /nfs/dbraw/zinc/84/80/54/972848054.db2.gz KKTRWTPDSVIQIQ-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)CCC(=O)[O-] ZINC000392594758 972853938 /nfs/dbraw/zinc/85/39/38/972853938.db2.gz METKBMURYVPJGB-UHFFFAOYSA-N -2 3 401.834 3.918 20 0 HHADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000433594744 979411865 /nfs/dbraw/zinc/41/18/65/979411865.db2.gz FHCZOHHTYHYEGL-UHFFFAOYSA-N -2 3 405.472 3.632 20 0 HHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)CC)n1 ZINC000435337432 980794636 /nfs/dbraw/zinc/79/46/36/980794636.db2.gz WAJQUEUWKOGLCR-JYRVWZFOSA-N -2 3 421.291 3.899 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccccc3SC)c2)n1 ZINC000436027388 981165702 /nfs/dbraw/zinc/16/57/02/981165702.db2.gz MPQFBBGYTUOVTC-UHFFFAOYSA-N -2 3 401.513 3.934 20 0 HHADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436532810 981424269 /nfs/dbraw/zinc/42/42/69/981424269.db2.gz GTLJFQYEDICEKB-UHFFFAOYSA-N -2 3 403.394 3.567 20 0 HHADHL O=C(Nc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1cc(F)ccc1[O-] ZINC000436562309 981446266 /nfs/dbraw/zinc/44/62/66/981446266.db2.gz ITHMCPUOHAFSEG-UHFFFAOYSA-N -2 3 410.423 3.785 20 0 HHADHL CN(Cc1ccccc1NC(=O)c1cc(F)ccc1[O-])C(=O)c1cc(F)ccc1[O-] ZINC000436581969 981458802 /nfs/dbraw/zinc/45/88/02/981458802.db2.gz KJCRXDCEHQYMJO-UHFFFAOYSA-N -2 3 412.392 3.901 20 0 HHADHL O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436737114 981539031 /nfs/dbraw/zinc/53/90/31/981539031.db2.gz IGVSRFCLBUEYHS-UHFFFAOYSA-N -2 3 409.269 3.896 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC[C@@H](C2CC2)C1 ZINC000436811879 981572375 /nfs/dbraw/zinc/57/23/75/981572375.db2.gz VXIGVBQFPXFOCD-CQSZACIVSA-N -2 3 420.918 3.719 20 0 HHADHL CCC(CC)N(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436858220 981594831 /nfs/dbraw/zinc/59/48/31/981594831.db2.gz ZUFBBTRPRHAYIE-UHFFFAOYSA-N -2 3 420.531 3.852 20 0 HHADHL CC(=O)c1ccc([O-])c(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccc(C)cc3)c2)c1 ZINC000436860419 981595688 /nfs/dbraw/zinc/59/56/88/981595688.db2.gz GDUYCSGPTKGATH-UHFFFAOYSA-N -2 3 424.478 3.956 20 0 HHADHL CC1=C[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000437003377 981679910 /nfs/dbraw/zinc/67/99/10/981679910.db2.gz SYDRORHDHLAFAX-CYBMUJFWSA-N -2 3 420.918 3.885 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)c(F)c1 ZINC000443423858 985580902 /nfs/dbraw/zinc/58/09/02/985580902.db2.gz SHOFPUYBUCVBKR-UHFFFAOYSA-N -2 3 407.341 3.574 20 0 HHADHL COc1cc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc(Br)c1[O-] ZINC000445390516 987447789 /nfs/dbraw/zinc/44/77/89/987447789.db2.gz IHJDCKWPVJEHLL-UHFFFAOYSA-N -2 3 420.219 3.544 20 0 HHADHL Cc1nn(Cc2ccccc2Cl)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000470263315 988210734 /nfs/dbraw/zinc/21/07/34/988210734.db2.gz IOBCBDSHKWVGBP-HJWRWDBZSA-N -2 3 412.877 3.803 20 0 HHADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1 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O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1F ZINC000497958166 1001579654 /nfs/dbraw/zinc/57/96/54/1001579654.db2.gz IRYUYRMCNBMXJU-UHFFFAOYSA-N -2 3 423.462 3.659 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccn3)c(F)c2)ccc1C(=O)[O-] ZINC000507953377 1002485968 /nfs/dbraw/zinc/48/59/68/1002485968.db2.gz YKZTWCQJNNLGAU-UHFFFAOYSA-N -2 3 416.430 3.607 20 0 HHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)cc2)n1 ZINC000499516846 1002906156 /nfs/dbraw/zinc/90/61/56/1002906156.db2.gz HALLILLMUXRPKO-UHFFFAOYSA-N -2 3 424.507 3.670 20 0 HHADHL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)c2)n1 ZINC000512767748 1004547853 /nfs/dbraw/zinc/54/78/53/1004547853.db2.gz UKDBMVLASOSZIE-UHFFFAOYSA-N -2 3 415.471 3.723 20 0 HHADHL COc1cc(Br)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Cl ZINC000504298951 1005591916 /nfs/dbraw/zinc/59/19/16/1005591916.db2.gz KCNJRXSWSBLOMB-UHFFFAOYSA-N -2 3 410.648 3.757 20 0 HHADHL O=C(NCc1ccc([O-])c(Br)c1)c1cccc(Br)c1[O-] ZINC000532019444 1006579665 /nfs/dbraw/zinc/57/96/65/1006579665.db2.gz ZBMONLJACJFNCW-UHFFFAOYSA-N -2 3 401.054 3.553 20 0 HHADHL O=C(Nc1ccc(F)cc1[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000532267071 1006757902 /nfs/dbraw/zinc/75/79/02/1006757902.db2.gz BURCEJLUOPDFOR-UHFFFAOYSA-N -2 3 404.394 3.724 20 0 HHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000539115575 1007403417 /nfs/dbraw/zinc/40/34/17/1007403417.db2.gz QFPPEQVJHTYYLA-UHFFFAOYSA-N -2 3 414.277 3.735 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)o1 ZINC000539117284 1007404244 /nfs/dbraw/zinc/40/42/44/1007404244.db2.gz JWMSFIYOWURBDE-UHFFFAOYSA-N -2 3 424.475 3.637 20 0 HHADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000533165782 1007503447 /nfs/dbraw/zinc/50/34/47/1007503447.db2.gz TWPCXYFIUCGWCG-UHFFFAOYSA-N -3 3 417.361 3.519 20 0 HHADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C(F)(F)F)c3)ccc2O1 ZINC000533625895 1007928740 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407.488 3.643 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000069119258 968815984 /nfs/dbraw/zinc/81/59/84/968815984.db2.gz WREBPPKDOYMABI-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c(Br)c1 ZINC000097286885 969115537 /nfs/dbraw/zinc/11/55/37/969115537.db2.gz JJWRMKUFJNFNPR-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c(Br)c1 ZINC000097286889 969115715 /nfs/dbraw/zinc/11/57/15/969115715.db2.gz JSEDJUOABGVCOG-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccc2ccccc21 ZINC000237339579 970266300 /nfs/dbraw/zinc/26/63/00/970266300.db2.gz WLQGTQHQWGPPKF-SNVBAGLBSA-N -2 3 424.272 3.933 20 0 HHADHL O=S(=O)(CCCOCc1ccccc1)[N-]c1cc(Br)ccc1[O-] ZINC000304378493 972599702 /nfs/dbraw/zinc/59/97/02/972599702.db2.gz QDWUBTBAJCOATK-UHFFFAOYSA-N -2 3 400.294 3.503 20 0 HHADHL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000323625350 972712064 /nfs/dbraw/zinc/71/20/64/972712064.db2.gz OOMVJGYFQDGLRS-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL CSc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2Br)cc1 ZINC000390603694 972825774 /nfs/dbraw/zinc/82/57/74/972825774.db2.gz VATXYVARHYDXIL-QMMMGPOBSA-N -2 3 420.306 3.502 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1Br ZINC000391847373 972844947 /nfs/dbraw/zinc/84/49/47/972844947.db2.gz XPKQPMPVMNUDNJ-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1 ZINC000410421501 974019698 /nfs/dbraw/zinc/01/96/98/974019698.db2.gz SIKXZQVXHWQWLB-UHFFFAOYSA-N -2 3 420.245 3.981 20 0 HHADHL CC(C)N(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CC1 ZINC000436570045 981450149 /nfs/dbraw/zinc/45/01/49/981450149.db2.gz LWJFFTLOWLQTEE-UHFFFAOYSA-N -2 3 408.907 3.859 20 0 HHADHL O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000436742740 981541632 /nfs/dbraw/zinc/54/16/32/981541632.db2.gz XPQWNZZBUZAARX-UHFFFAOYSA-N -2 3 409.269 3.896 20 0 HHADHL CCCN(CC(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436760104 981549901 /nfs/dbraw/zinc/54/99/01/981549901.db2.gz MCXGMGXFRCNVPY-UHFFFAOYSA-N -2 3 420.531 3.710 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)ccc1OCC(=O)[O-] ZINC000438780481 983066509 /nfs/dbraw/zinc/06/65/09/983066509.db2.gz XTSBXCZWNCEHFF-UHFFFAOYSA-N -2 3 403.378 3.586 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc([C@@H]4CCCO4)[nH]c3c2)cc1Cl ZINC000438794446 983075567 /nfs/dbraw/zinc/07/55/67/983075567.db2.gz SDQNICNDDKQOHH-INIZCTEOSA-N -2 3 421.862 3.567 20 0 HHADHL Cc1nc(C=Cc2ccc3ccc(Br)cc3n2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443449780 985615304 /nfs/dbraw/zinc/61/53/04/985615304.db2.gz VXLHWDDSEIPONY-VURMDHGXSA-N -2 3 414.259 3.989 20 0 HHADHL COc1ccc(Cn2nc(C)c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)c2C)cc1 ZINC000443456886 985627654 /nfs/dbraw/zinc/62/76/54/985627654.db2.gz SZOLOGHUGQYLCT-LUAWRHEFSA-N -2 3 422.485 3.548 20 0 HHADHL O=C(N=c1nc(Cc2ccccc2)[n-]s1)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000444009426 986205016 /nfs/dbraw/zinc/20/50/16/986205016.db2.gz NQYFJRZWRZICII-UHFFFAOYSA-N -2 3 415.474 3.740 20 0 HHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2cc(C)[nH]n2)cc1 ZINC000468612639 986327001 /nfs/dbraw/zinc/32/70/01/986327001.db2.gz ZUOWHNSGXYELEI-UHFFFAOYSA-N -2 3 401.444 3.572 20 0 HHADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCc1ccccc1 ZINC000470264609 988212530 /nfs/dbraw/zinc/21/25/30/988212530.db2.gz QPEALMAZWHFZGU-PKNBQFBNSA-N -2 3 406.438 3.876 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(F)c(C)cc3F)c2)n1 ZINC000475748610 996346443 /nfs/dbraw/zinc/34/64/43/996346443.db2.gz OYNJDYNJNOTJCJ-UHFFFAOYSA-N -2 3 405.426 3.799 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1C ZINC000484917562 997292319 /nfs/dbraw/zinc/29/23/19/997292319.db2.gz FTWMXXISLHZQTG-UHFFFAOYSA-N -2 3 403.378 3.830 20 0 HHADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000489772263 999835175 /nfs/dbraw/zinc/83/51/75/999835175.db2.gz QQDQNSSKMRKSRP-UHFFFAOYSA-N -2 3 417.270 3.841 20 0 HHADHL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)cc1)C(=O)[O-] ZINC000504704062 1000333180 /nfs/dbraw/zinc/33/31/80/1000333180.db2.gz SMTUMTOJCPQFCV-LBPRGKRZSA-N -2 3 407.513 3.766 20 0 HHADHL CCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OCC(F)(F)F ZINC000504719997 1000340509 /nfs/dbraw/zinc/34/05/09/1000340509.db2.gz GKXRATJSFKOUBJ-FNORWQNLSA-N -2 3 412.364 3.628 20 0 HHADHL Cc1nc(C=Cc2cccc(OCc3ccccc3C(=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504741743 1000350411 /nfs/dbraw/zinc/35/04/11/1000350411.db2.gz MNKLPLXFYJLLMR-KTKRTIGZSA-N -3 3 420.421 3.565 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3cc(Br)cnc32)c1 ZINC000507635251 1002237386 /nfs/dbraw/zinc/23/73/86/1002237386.db2.gz IWZHFMWFKWVWDI-UHFFFAOYSA-N -2 3 409.261 3.512 20 0 HHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1Cl ZINC000500374271 1003671710 /nfs/dbraw/zinc/67/17/10/1003671710.db2.gz OVQMNRWEWLTYAB-UHFFFAOYSA-N -2 3 413.879 3.701 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nncs3)cc2)c(C)c1C(=O)[O-] ZINC000512748029 1004534391 /nfs/dbraw/zinc/53/43/91/1004534391.db2.gz WZFXSXRFSWXPNS-UHFFFAOYSA-N -2 3 421.525 3.805 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)c(C)c1C(=O)[O-] ZINC000512770423 1004549432 /nfs/dbraw/zinc/54/94/32/1004549432.db2.gz DBUDFHRLTAHHLW-UHFFFAOYSA-N -2 3 404.488 3.787 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1F ZINC000513462284 1004977105 /nfs/dbraw/zinc/97/71/05/1004977105.db2.gz CUQHIMQEDCKHGI-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C(Nc1ccc(F)cc1[O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000531755892 1006399054 /nfs/dbraw/zinc/39/90/54/1006399054.db2.gz MQTPRAKDXSDOSV-UHFFFAOYSA-N -2 3 404.394 3.724 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CC[C@H](C)C2)c1 ZINC000532091957 1006626678 /nfs/dbraw/zinc/62/66/78/1006626678.db2.gz LDOYPFFPSQLPLT-GJZGRUSLSA-N -2 3 418.515 3.966 20 0 HHADHL O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Nc1cccc(Cl)c1[O-] ZINC000534698921 1006683720 /nfs/dbraw/zinc/68/37/20/1006683720.db2.gz BVGFDWWYWPRQCN-UHFFFAOYSA-N -2 3 423.705 3.660 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)cc1 ZINC000532267186 1006757984 /nfs/dbraw/zinc/75/79/84/1006757984.db2.gz IOSGQGJETKZAKI-UHFFFAOYSA-N -2 3 416.430 3.593 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)cc(C(=O)[O-])c1C ZINC000532364609 1006822341 /nfs/dbraw/zinc/82/23/41/1006822341.db2.gz HUFUZQJXXUECCC-UHFFFAOYSA-N -2 3 419.499 3.687 20 0 HHADHL Cc1c(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(C(=O)[O-])c[nH]c(=O)c3c2)c(C)c1C ZINC000517070325 1007394950 /nfs/dbraw/zinc/39/49/50/1007394950.db2.gz RGFMKKKRNQUMFU-UHFFFAOYSA-N -2 3 414.483 3.982 20 0 HHADHL O=C([O-])[C@@H](CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000517461767 1007685851 /nfs/dbraw/zinc/68/58/51/1007685851.db2.gz RXSNXMFGYXNJBZ-AWEZNQCLSA-N -2 3 416.326 3.995 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1C(F)(F)F ZINC000533625088 1007927931 /nfs/dbraw/zinc/92/79/31/1007927931.db2.gz ACUSMSOZRAOSEM-UHFFFAOYSA-N -2 3 411.304 3.806 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000540501269 1008457722 /nfs/dbraw/zinc/45/77/22/1008457722.db2.gz IEIWTMUDBKRDAS-UHFFFAOYSA-N -2 3 412.467 3.762 20 0 HHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(Cl)cc2Br)c1 ZINC000547545779 1010345983 /nfs/dbraw/zinc/34/59/83/1010345983.db2.gz LSLVEUAEZOXHAX-UHFFFAOYSA-N -2 3 422.659 3.882 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000547868965 1010457448 /nfs/dbraw/zinc/45/74/48/1010457448.db2.gz CKUJRMCLAPISJX-UHFFFAOYSA-N -3 3 403.456 3.932 20 0 HHADHL COCCc1ccc(S(=O)(=O)[N-]c2cc(F)c(NC(C)(C)C)cc2C(=O)[O-])cc1 ZINC000548548389 1010661859 /nfs/dbraw/zinc/66/18/59/1010661859.db2.gz OYBYTMLYPOUNDG-UHFFFAOYSA-N -2 3 424.494 3.724 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1Br ZINC000548592283 1010674929 /nfs/dbraw/zinc/67/49/29/1010674929.db2.gz QKBCGQIGHXQUHP-GWCFXTLKSA-N -2 3 418.334 3.559 20 0 HHADHL Cc1nc2ccc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)cc2s1 ZINC000541077201 1011717721 /nfs/dbraw/zinc/71/77/21/1011717721.db2.gz MRVWIJMLPSAGTN-UHFFFAOYSA-N -2 3 404.513 3.958 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(COC(C)C)cc2)ccc1OCCCC(=O)[O-] ZINC000523588940 1012144124 /nfs/dbraw/zinc/14/41/24/1012144124.db2.gz BLDVBWLDJSBNQR-UHFFFAOYSA-N -2 3 421.515 3.964 20 0 HHADHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)c(F)c1 ZINC000614852827 1071773802 /nfs/dbraw/zinc/77/38/02/1071773802.db2.gz RNOJAYXYZQTGJU-UHFFFAOYSA-N -2 3 403.435 3.634 20 0 HHADHL CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000479403619 1072795389 /nfs/dbraw/zinc/79/53/89/1072795389.db2.gz BKVIZAIBHAONER-UHFFFAOYSA-N -2 3 414.842 3.717 20 0 HHADHL Cc1csc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000011985301 962219697 /nfs/dbraw/zinc/21/96/97/962219697.db2.gz YZKCKVPWFBTWCL-UHFFFAOYSA-N -2 3 423.903 3.864 20 0 HHADHL COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C(=O)[O-])cc3)nc(=O)c2c1C ZINC000013351174 962389946 /nfs/dbraw/zinc/38/99/46/962389946.db2.gz HXSMSBPFMLEOAZ-XFFZJAGNSA-N -2 3 404.831 3.515 20 0 HHADHL O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccc([O-])c(Br)c1)CC3 ZINC000022346767 963634947 /nfs/dbraw/zinc/63/49/47/963634947.db2.gz PCPNKDZAEBKWSS-YRNVUSSQSA-N -2 3 413.227 3.507 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000023245352 963788628 /nfs/dbraw/zinc/78/86/28/963788628.db2.gz BCFCFWQSFTUHHR-UHFFFAOYSA-N -2 3 408.526 3.658 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccnc3)c(C)c2)cc1C(=O)[O-] ZINC000057126419 965300279 /nfs/dbraw/zinc/30/02/79/965300279.db2.gz XGKNSNHVBIXKRL-UHFFFAOYSA-N -2 3 414.439 3.690 20 0 HHADHL Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000055588318 965943500 /nfs/dbraw/zinc/94/35/00/965943500.db2.gz FPGIJKRSNOKPFS-UHFFFAOYSA-N -2 3 409.423 3.553 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1C(F)(F)F ZINC000060318259 966087630 /nfs/dbraw/zinc/08/76/30/966087630.db2.gz BMNGJYXGMHRCCQ-UHFFFAOYSA-N -2 3 423.796 3.931 20 0 HHADHL CC(C)COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000032591464 966289141 /nfs/dbraw/zinc/28/91/41/966289141.db2.gz PLNZJMBZISOZEH-UHFFFAOYSA-N -2 3 413.879 3.639 20 0 HHADHL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccccc1[N-]S(C)(=O)=O ZINC000036833132 966463400 /nfs/dbraw/zinc/46/34/00/966463400.db2.gz WYSDEJBAOAQRKG-UHFFFAOYSA-N -2 3 410.561 3.773 20 0 HHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)c(C)c1C ZINC000554687053 1014013091 /nfs/dbraw/zinc/01/30/91/1014013091.db2.gz CCZSWHBXKUJDHK-UHFFFAOYSA-N -2 3 413.879 3.538 20 0 HHADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000319645832 972673049 /nfs/dbraw/zinc/67/30/49/972673049.db2.gz PPRDJUUKDRLGFT-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL COc1ccc(Br)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 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3 411.451 3.577 20 0 HHADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1 ZINC000230215626 970134925 /nfs/dbraw/zinc/13/49/25/970134925.db2.gz UMEWIXZBDOVWTH-UHFFFAOYSA-N -2 3 410.698 3.971 20 0 HHADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000318680874 972665181 /nfs/dbraw/zinc/66/51/81/972665181.db2.gz ASMBIILBFAKGFB-VIFPVBQESA-N -2 3 412.733 3.660 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c(Br)c1 ZINC000319077777 972669188 /nfs/dbraw/zinc/66/91/88/972669188.db2.gz OWZPSGGAENCPRL-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(Br)c2)cc1C(=O)[O-] ZINC000325773358 972735028 /nfs/dbraw/zinc/73/50/28/972735028.db2.gz KYZBCEGMTXOWSG-UHFFFAOYSA-N -2 3 414.277 3.519 20 0 HHADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(=O)[O-] ZINC000325842415 972736457 /nfs/dbraw/zinc/73/64/57/972736457.db2.gz YAIZUPKLOIMKDR-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000391271429 972837988 /nfs/dbraw/zinc/83/79/88/972837988.db2.gz LJYUUYLHTLATCJ-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000403269002 972882896 /nfs/dbraw/zinc/88/28/96/972882896.db2.gz SYSMXCRVWRJHHM-UHFFFAOYSA-N -2 3 412.733 3.806 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)ccc1OCCCC(=O)[O-] ZINC000425970418 974075199 /nfs/dbraw/zinc/07/51/99/974075199.db2.gz FRNMSNLNEZGBMQ-UHFFFAOYSA-N -2 3 417.483 3.558 20 0 HHADHL CC(C)(c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1)C(F)(F)F ZINC000432046686 978660098 /nfs/dbraw/zinc/66/00/98/978660098.db2.gz JPHQRJXPRQTLPE-UHFFFAOYSA-N -2 3 417.405 3.791 20 0 HHADHL CCc1noc(-c2ccc(C)c([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)c2)n1 ZINC000432185512 978704777 /nfs/dbraw/zinc/70/47/77/978704777.db2.gz KVXIQWBWMVRXCB-UHFFFAOYSA-N -2 3 415.471 3.723 20 0 HHADHL COc1cc([N-]S(=O)(=O)c2c(C)cc(Br)cc2C)ccc1C(=O)[O-] ZINC000432760969 978963265 /nfs/dbraw/zinc/96/32/65/978963265.db2.gz PWRWKZSGYYUTEV-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2F)cc1 ZINC000433497346 979338368 /nfs/dbraw/zinc/33/83/68/979338368.db2.gz PJOAQTIWPOUKRF-UHFFFAOYSA-N -2 3 419.352 3.693 20 0 HHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000435721160 981002390 /nfs/dbraw/zinc/00/23/90/981002390.db2.gz HIDDXGHNWJCWLP-UHFFFAOYSA-N -2 3 403.378 3.830 20 0 HHADHL C=Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000436475551 981393271 /nfs/dbraw/zinc/39/32/71/981393271.db2.gz CDHZZZATXMKHLG-UHFFFAOYSA-N -2 3 414.508 3.931 20 0 HHADHL COc1ccc(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)c([O-])c1 ZINC000436567367 981449279 /nfs/dbraw/zinc/44/92/79/981449279.db2.gz XGEGFBIIRZPVSB-UHFFFAOYSA-N -2 3 422.459 3.655 20 0 HHADHL CC(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436681845 981509668 /nfs/dbraw/zinc/50/96/68/981509668.db2.gz SQDWGFRMRQMVRE-FQEVSTJZSA-N -2 3 418.449 3.697 20 0 HHADHL C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436801935 981568715 /nfs/dbraw/zinc/56/87/15/981568715.db2.gz XGBRMRLVEKZNMS-ZIAGYGMSSA-N -2 3 422.934 3.965 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(C)c(F)cc3F)c2)n1 ZINC000440295937 983709640 /nfs/dbraw/zinc/70/96/40/983709640.db2.gz XWIVVIUDAVSVSQ-UHFFFAOYSA-N -2 3 405.426 3.799 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(CCC(F)(F)F)c1 ZINC000441768137 984440963 /nfs/dbraw/zinc/44/09/63/984440963.db2.gz MWWRXDNCZJZGAC-UHFFFAOYSA-N -2 3 403.378 3.695 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)cc1C(=O)[O-] ZINC000443413947 985570184 /nfs/dbraw/zinc/57/01/84/985570184.db2.gz HMGCOHJFAKPFDX-UHFFFAOYSA-N -2 3 421.368 3.883 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(F)c2)c(C)c1C(=O)[O-] ZINC000443415623 985572529 /nfs/dbraw/zinc/57/25/29/985572529.db2.gz LMXCLSDXJFYDRQ-UHFFFAOYSA-N -2 3 421.368 3.883 20 0 HHADHL COC(=O)c1ccccc1-c1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)o1 ZINC000443452366 985620290 /nfs/dbraw/zinc/62/02/90/985620290.db2.gz IVZONSRYMOAAOP-DHZHZOJOSA-N -2 3 408.410 3.725 20 0 HHADHL C[C@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000443531582 985702915 /nfs/dbraw/zinc/70/29/15/985702915.db2.gz QFTRLWCBQANHNM-AWEZNQCLSA-N -2 3 421.478 3.544 20 0 HHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000484523247 996854197 /nfs/dbraw/zinc/85/41/97/996854197.db2.gz HAQWINBQDDMSPY-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000484865207 997229011 /nfs/dbraw/zinc/22/90/11/997229011.db2.gz CWGWYOKETZABJG-AWEZNQCLSA-N -2 3 419.396 3.599 20 0 HHADHL COc1cc(S(=O)(=O)[N-]c2ccccc2Br)c(Cl)cc1C(=O)[O-] ZINC000485272289 997666392 /nfs/dbraw/zinc/66/63/92/997666392.db2.gz XSERUZUJRZOAHW-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL CC(C)(C)c1nc(=NCc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)s[n-]1 ZINC000477353475 998042013 /nfs/dbraw/zinc/04/20/13/998042013.db2.gz OTEHUXRQCFRERW-UHFFFAOYSA-N -2 3 420.535 3.810 20 0 HHADHL Cc1coc(-c2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])c(C)c3)ccc2C)n1 ZINC000477463116 998176632 /nfs/dbraw/zinc/17/66/32/998176632.db2.gz NORZGABXFQNAQY-UHFFFAOYSA-N -2 3 416.455 3.531 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Br)c(C)cc2C)cc1C(=O)[O-] ZINC000486122453 998570507 /nfs/dbraw/zinc/57/05/07/998570507.db2.gz BVAYUBXPIAVGBK-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000479452743 999424293 /nfs/dbraw/zinc/42/42/93/999424293.db2.gz HCQUCEYLXYZTKP-UHFFFAOYSA-N -2 3 409.435 3.588 20 0 HHADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000479471708 999431590 /nfs/dbraw/zinc/43/15/90/999431590.db2.gz VKNJAJNWZWQBKX-UHFFFAOYSA-N -2 3 409.435 3.588 20 0 HHADHL Cc1nc(C=Cc2ccc3ccc(Br)cc3n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504711399 1000336108 /nfs/dbraw/zinc/33/61/08/1000336108.db2.gz IKYCZPGMUFRJKX-VOTSOKGWSA-N -2 3 400.232 3.599 20 0 HHADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000506675879 1001490460 /nfs/dbraw/zinc/49/04/60/1001490460.db2.gz QZQJDHLKMPMHMV-UHFFFAOYSA-N -2 3 402.497 3.526 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1OCC(F)(F)F ZINC000507895781 1002429360 /nfs/dbraw/zinc/42/93/60/1002429360.db2.gz TYTWLCWJPPVKAM-UHFFFAOYSA-N -2 3 403.378 3.744 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(C)c(Cl)c2)ccc1OCC(=O)[O-] ZINC000500359424 1003658223 /nfs/dbraw/zinc/65/82/23/1003658223.db2.gz PHTNOIULMIFKJY-UHFFFAOYSA-N -2 3 404.271 3.874 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c(C)c1C(=O)[O-] ZINC000512781134 1004556587 /nfs/dbraw/zinc/55/65/87/1004556587.db2.gz MMYIXBZDWVDRST-UHFFFAOYSA-N -2 3 405.863 3.642 20 0 HHADHL CCCCc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000513695715 1005085701 /nfs/dbraw/zinc/08/57/01/1005085701.db2.gz KMZJGAXXRXOBJN-UHFFFAOYSA-N -2 3 404.488 3.633 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000504377475 1005611817 /nfs/dbraw/zinc/61/18/17/1005611817.db2.gz XTSDHTXHHMKOFJ-GASCZTMLSA-N -2 3 418.515 3.605 20 0 HHADHL CC(C)c1cccc(-c2ccc(C(=O)[N-]c3nnc([N-]S(C)(=O)=O)s3)o2)c1 ZINC000538491582 1006759270 /nfs/dbraw/zinc/75/92/70/1006759270.db2.gz JFWSUJQGXYNQIG-UHFFFAOYSA-N -2 3 406.489 3.545 20 0 HHADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(Cl)c3ccccc32)c1 ZINC000532292180 1006776067 /nfs/dbraw/zinc/77/60/67/1006776067.db2.gz SNGFJIZTUPDTIC-UHFFFAOYSA-N -2 3 424.931 3.974 20 0 HHADHL CCCCOc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)c(C(=O)[O-])c2)c(C)c1 ZINC000516417526 1007071097 /nfs/dbraw/zinc/07/10/97/1007071097.db2.gz VNVFVCJTOJLDNT-UHFFFAOYSA-N -2 3 423.487 3.690 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1C(F)(F)F ZINC000533165866 1007504114 /nfs/dbraw/zinc/50/41/14/1007504114.db2.gz YPXVHOCPHKOVDM-UHFFFAOYSA-N -2 3 401.362 3.529 20 0 HHADHL O=C([O-])[C@H](CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000517461769 1007685498 /nfs/dbraw/zinc/68/54/98/1007685498.db2.gz RXSNXMFGYXNJBZ-CQSZACIVSA-N -2 3 416.326 3.995 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1Cl ZINC000533626274 1007928868 /nfs/dbraw/zinc/92/88/68/1007928868.db2.gz LSWXCDFJBZLWFY-UHFFFAOYSA-N -2 3 409.769 3.866 20 0 HHADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc(Br)cc(C(=O)[O-])c2)cc1 ZINC000540215944 1008339297 /nfs/dbraw/zinc/33/92/97/1008339297.db2.gz WICMLSDFWKGJNB-UHFFFAOYSA-N -2 3 414.277 3.735 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(Nc3nc(C)cs3)c2)cc1C(=O)[O-] ZINC000518646744 1008378017 /nfs/dbraw/zinc/37/80/17/1008378017.db2.gz JVLVUMDPPNONBT-UHFFFAOYSA-N -2 3 419.484 3.703 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Br)c(Cl)c1 ZINC000547565867 1010350331 /nfs/dbraw/zinc/35/03/31/1010350331.db2.gz RFKGIOUSEZGMJV-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3Br)c2n1 ZINC000547588309 1010357135 /nfs/dbraw/zinc/35/71/35/1010357135.db2.gz SUWBVARWLGYCDN-UHFFFAOYSA-N -2 3 421.272 3.805 20 0 HHADHL Cc1ccc(C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000547894855 1010462933 /nfs/dbraw/zinc/46/29/33/1010462933.db2.gz MYZYNVVXBIURJQ-CYBMUJFWSA-N -2 3 402.299 3.524 20 0 HHADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1F ZINC000547933142 1010473015 /nfs/dbraw/zinc/47/30/15/1010473015.db2.gz FZLFYZLQQPJULW-UHFFFAOYSA-N -2 3 413.732 3.719 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000548569392 1010668031 /nfs/dbraw/zinc/66/80/31/1010668031.db2.gz KRNXZTBWOOLRIK-CMPLNLGQSA-N -2 3 410.355 3.521 20 0 HHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccccc2F)c1Cl ZINC000548580160 1010671988 /nfs/dbraw/zinc/67/19/88/1010671988.db2.gz RQHYKZNNXJOKDG-CYBMUJFWSA-N -2 3 406.262 3.935 20 0 HHADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000548596376 1010675968 /nfs/dbraw/zinc/67/59/68/1010675968.db2.gz JMBASTMXMFZXJD-NSHDSACASA-N -2 3 409.316 3.507 20 0 HHADHL Cc1csc(-c2cccc(S(=O)(=O)[N-]c3cc(F)cc(C(=O)[O-])c3F)c2)n1 ZINC000548764397 1010725367 /nfs/dbraw/zinc/72/53/67/1010725367.db2.gz KZYXJRCHISOUBV-UHFFFAOYSA-N -2 3 410.423 3.896 20 0 HHADHL CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000536523157 1011715559 /nfs/dbraw/zinc/71/55/59/1011715559.db2.gz RORODCSNBNVYDK-UHFFFAOYSA-N -2 3 416.908 3.948 20 0 HHADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CCC(=O)[O-] ZINC000551910877 1012021473 /nfs/dbraw/zinc/02/14/73/1012021473.db2.gz DSUQLFONZXERJH-UHFFFAOYSA-N -2 3 401.834 3.918 20 0 HHADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000551912465 1012021508 /nfs/dbraw/zinc/02/15/08/1012021508.db2.gz DXJJMQHALWDYNA-LBPRGKRZSA-N -2 3 407.797 3.506 20 0 HHADHL C[C@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000523729872 1012346333 /nfs/dbraw/zinc/34/63/33/1012346333.db2.gz RDPKEFCBQLBQJR-AWEZNQCLSA-N -2 3 422.462 3.511 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1Cl ZINC000523873293 1012570670 /nfs/dbraw/zinc/57/06/70/1012570670.db2.gz OJUQZELOBJDVRO-UHFFFAOYSA-N -2 3 413.879 3.620 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CCCCC3)cc2C)c1 ZINC000537195750 1012611976 /nfs/dbraw/zinc/61/19/76/1012611976.db2.gz VAKWLCHGVFFAAL-UHFFFAOYSA-N -2 3 418.515 3.573 20 0 HHADHL O=S(=O)([N-]c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 ZINC000030530949 965718838 /nfs/dbraw/zinc/71/88/38/965718838.db2.gz SJOYDOZZGOPALA-UHFFFAOYSA-N -2 3 422.915 3.942 20 0 HHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000032586444 966287094 /nfs/dbraw/zinc/28/70/94/966287094.db2.gz ZHGLFKVAMPQMQK-UHFFFAOYSA-N -2 3 409.769 3.623 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c(C)c1CC(=O)[O-] ZINC000542940884 1013774252 /nfs/dbraw/zinc/77/42/52/1013774252.db2.gz LLWWYGGVEUWMFF-UHFFFAOYSA-N -2 3 400.456 3.695 20 0 HHADHL Cc1cc(Oc2ncccc2C#N)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000047991975 968386543 /nfs/dbraw/zinc/38/65/43/968386543.db2.gz AREOGOUZDPUUCS-UHFFFAOYSA-N -2 3 409.423 3.553 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)c(C)c1 ZINC000048382885 968537031 /nfs/dbraw/zinc/53/70/31/968537031.db2.gz FFXLGHMURRAGGT-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000538298051 1013833542 /nfs/dbraw/zinc/83/35/42/1013833542.db2.gz DCEBFNRSGHRWHS-HHHXNRCGSA-N -2 3 417.508 3.509 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@](C)(CC(=O)[O-])C3CCCCC3)c2)n1 ZINC000237111523 970224445 /nfs/dbraw/zinc/22/44/45/970224445.db2.gz QRORNIKFEXKCOF-QHCPKHFHSA-N -2 3 411.502 3.999 20 0 HHADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000319304217 972669323 /nfs/dbraw/zinc/66/93/23/972669323.db2.gz GUFCLVIFDAFALV-VHSXEESVSA-N -2 3 412.733 3.660 20 0 HHADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000391370876 972839461 /nfs/dbraw/zinc/83/94/61/972839461.db2.gz TWVIVAHWQZZPDP-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL COc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc(C(=O)[O-])c1OC ZINC000410419659 974017662 /nfs/dbraw/zinc/01/76/62/974017662.db2.gz PXMQPDMPLRJIGE-UHFFFAOYSA-N -2 3 424.233 3.649 20 0 HHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000436478239 981393623 /nfs/dbraw/zinc/39/36/23/981393623.db2.gz OXCSACVVTHDYMG-UHFFFAOYSA-N -2 3 409.769 3.652 20 0 HHADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])c1cccnc1 ZINC000436542562 981431826 /nfs/dbraw/zinc/43/18/26/981431826.db2.gz ABLQXEBBGFMUGE-UHFFFAOYSA-N -2 3 417.874 3.518 20 0 HHADHL Cc1ccncc1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436569492 981450330 /nfs/dbraw/zinc/45/03/30/981450330.db2.gz FEBPYNLNTHCSLV-UHFFFAOYSA-N -2 3 417.874 3.802 20 0 HHADHL O=C(NCCC(F)(F)F)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436577741 981455761 /nfs/dbraw/zinc/45/57/61/981455761.db2.gz VELPIYQMPKMONC-UHFFFAOYSA-N -2 3 422.812 3.529 20 0 HHADHL CN(C(=O)c1cc(F)ccc1[O-])[C@@H]1CCCC[C@H]1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436663090 981499303 /nfs/dbraw/zinc/49/93/03/981499303.db2.gz KNBADDFYEAYDTK-QZTJIDSGSA-N -2 3 418.440 3.531 20 0 HHADHL CCCCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-])C1CC1 ZINC000436760240 981550494 /nfs/dbraw/zinc/55/04/94/981550494.db2.gz OETGWERXOJJMMB-UHFFFAOYSA-N -2 3 418.515 3.606 20 0 HHADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1 ZINC000438716395 983023034 /nfs/dbraw/zinc/02/30/34/983023034.db2.gz HRCCSSIVEZSKGT-UHFFFAOYSA-N -2 3 407.488 3.576 20 0 HHADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cc2F)n1 ZINC000438821712 983095695 /nfs/dbraw/zinc/09/56/95/983095695.db2.gz WPFPZLGSDSCHBA-UHFFFAOYSA-N -2 3 423.853 3.781 20 0 HHADHL CSc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2[N-]S(C)(=O)=O)cc1Cl ZINC000463796759 986787952 /nfs/dbraw/zinc/78/79/52/986787952.db2.gz GFVXAAUQHPKKAK-UHFFFAOYSA-N -2 3 420.965 3.543 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1Br ZINC000471128369 989237081 /nfs/dbraw/zinc/23/70/81/989237081.db2.gz BUMXUMAWCNQVHX-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)ccc1OCC(=O)[O-] ZINC000471136410 989246966 /nfs/dbraw/zinc/24/69/66/989246966.db2.gz KGBSUNZICZWOCI-UHFFFAOYSA-N -2 3 403.378 3.586 20 0 HHADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000484870296 997234628 /nfs/dbraw/zinc/23/46/28/997234628.db2.gz IAZPSVJKDXUBRJ-CYBMUJFWSA-N -2 3 402.299 3.748 20 0 HHADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000485260806 997653746 /nfs/dbraw/zinc/65/37/46/997653746.db2.gz DXLUIASINQQPQT-UHFFFAOYSA-N -2 3 406.243 3.510 20 0 HHADHL Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)cc1C(=O)[O-] ZINC000479234761 999337506 /nfs/dbraw/zinc/33/75/06/999337506.db2.gz DOCGHRVNGAOUSQ-UHFFFAOYSA-N -2 3 405.806 3.791 20 0 HHADHL Cc1cnn(-c2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)c(C(=O)[O-])c3)cc2F)c1 ZINC000479268500 999356555 /nfs/dbraw/zinc/35/65/55/999356555.db2.gz QETQTSWRODMGKU-UHFFFAOYSA-N -2 3 423.853 3.781 20 0 HHADHL CCc1c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cnn1-c1cccc(Cl)c1 ZINC000480239737 999753967 /nfs/dbraw/zinc/75/39/67/999753967.db2.gz FYRHQQWIEAPIMK-UHFFFAOYSA-N -2 3 407.879 3.603 20 0 HHADHL O=C(Nc1ncccc1[O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000492167810 1000112946 /nfs/dbraw/zinc/11/29/46/1000112946.db2.gz KCXRGIHYWCSZSM-UHFFFAOYSA-N -2 3 421.837 3.633 20 0 HHADHL C[C@H](Sc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1)C(=O)[O-] ZINC000504665440 1000315823 /nfs/dbraw/zinc/31/58/23/1000315823.db2.gz FZVYOLYTIKCACY-NSHDSACASA-N -2 3 417.455 3.697 20 0 HHADHL Cc1nc(C=Cc2ccc(OC(F)F)c(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504713202 1000336939 /nfs/dbraw/zinc/33/69/39/1000336939.db2.gz UZJGCBLDZCGKKL-HWKANZROSA-N -2 3 415.190 3.652 20 0 HHADHL CC[C@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000505753883 1001007268 /nfs/dbraw/zinc/00/72/68/1001007268.db2.gz ZUEMOOFIBZTBIE-UONOGXRCSA-N -2 3 406.504 3.822 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC2CC(C)(C)C2)c1 ZINC000497092228 1001267818 /nfs/dbraw/zinc/26/78/18/1001267818.db2.gz FZYSDOZZGASNSD-UHFFFAOYSA-N -2 3 418.515 3.966 20 0 HHADHL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000500361101 1003659165 /nfs/dbraw/zinc/65/91/65/1003659165.db2.gz NQYRAEMYYUDFST-LBPRGKRZSA-N -2 3 413.879 3.782 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)c(C)c1C(=O)[O-] ZINC000512725885 1004520446 /nfs/dbraw/zinc/52/04/46/1004520446.db2.gz RHFVFCORVQWAIF-UHFFFAOYSA-N -2 3 403.456 3.844 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cscc2C)c1 ZINC000531157628 1006022622 /nfs/dbraw/zinc/02/26/22/1006022622.db2.gz NQICRJNNJCNKIB-UHFFFAOYSA-N -2 3 418.496 3.824 20 0 HHADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000515588560 1006550873 /nfs/dbraw/zinc/55/08/73/1006550873.db2.gz MWSHGQHLZKZUBK-LLVKDONJSA-N -2 3 410.305 3.538 20 0 HHADHL CCCCCc1ccc([N-]S(=O)(=O)c2cc(OC)c(OC)c(C(=O)[O-])c2)cc1 ZINC000515623900 1006563797 /nfs/dbraw/zinc/56/37/97/1006563797.db2.gz CCJAWNCQAKGNMC-UHFFFAOYSA-N -2 3 407.488 3.936 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1C(F)(F)F ZINC000538939298 1007222452 /nfs/dbraw/zinc/22/24/52/1007222452.db2.gz ADLFAHLFVNYMTH-UHFFFAOYSA-N -2 3 401.362 3.529 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c(C)c1C(=O)[O-] ZINC000533579256 1007882466 /nfs/dbraw/zinc/88/24/66/1007882466.db2.gz SAPMHDCQFAAJFZ-UHFFFAOYSA-N -2 3 422.466 3.512 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2NC(=O)c2cccs2)c1 ZINC000540498385 1008456652 /nfs/dbraw/zinc/45/66/52/1008456652.db2.gz YBPFCRCYKPXASF-UHFFFAOYSA-N -2 3 404.469 3.515 20 0 HHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000519276508 1008687268 /nfs/dbraw/zinc/68/72/68/1008687268.db2.gz ILXVCGBRVMRANG-UHFFFAOYSA-N -2 3 415.801 3.850 20 0 HHADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc([C@H](C)CC(=O)[O-])cc3)cc2F)c1 ZINC000543164043 1008739594 /nfs/dbraw/zinc/73/95/94/1008739594.db2.gz SNZGZSVOYTZVID-CQSZACIVSA-N -2 3 417.462 3.699 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1C ZINC000520038302 1009196968 /nfs/dbraw/zinc/19/69/68/1009196968.db2.gz XLTGXZAAYHYGGR-UHFFFAOYSA-N -2 3 403.378 3.830 20 0 HHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1F ZINC000520620568 1009697929 /nfs/dbraw/zinc/69/79/29/1009697929.db2.gz HSNDEEUEXDJWEL-UHFFFAOYSA-N -2 3 401.415 3.904 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nn(-c4cccc(F)c4)cc3[O-])c2)n1 ZINC000550600855 1010057285 /nfs/dbraw/zinc/05/72/85/1010057285.db2.gz ROTZAHBNOICNKQ-UHFFFAOYSA-N -2 3 419.416 3.694 20 0 HHADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547899989 1010464786 /nfs/dbraw/zinc/46/47/86/1010464786.db2.gz KWWRSSSHQOSBCR-NSHDSACASA-N -2 3 402.925 3.775 20 0 HHADHL COc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000547900947 1010464820 /nfs/dbraw/zinc/46/48/20/1010464820.db2.gz FBWFGPNTGACFBH-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCCC(C)C)cc2)c(C(=O)[O-])c1 ZINC000548198670 1010559569 /nfs/dbraw/zinc/55/95/69/1010559569.db2.gz DBJCHEPYPUPMLG-UHFFFAOYSA-N -2 3 420.487 3.569 20 0 HHADHL Cc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)s1 ZINC000548528236 1010657611 /nfs/dbraw/zinc/65/76/11/1010657611.db2.gz HAFGZJSVXBTZQD-GFCCVEGCSA-N -2 3 409.316 3.643 20 0 HHADHL Cc1ccccc1C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000548549122 1010661979 /nfs/dbraw/zinc/66/19/79/1010661979.db2.gz HUFMFLHLABVHOC-CYBMUJFWSA-N -2 3 402.299 3.524 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000548595696 1010675721 /nfs/dbraw/zinc/67/57/21/1010675721.db2.gz XXOWFBHIEDKJSO-ZWNOBZJWSA-N -2 3 418.334 3.559 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)ccc1OCC(F)(F)F ZINC000523121842 1011587799 /nfs/dbraw/zinc/58/77/99/1011587799.db2.gz YERJEHDOXOBRGW-UHFFFAOYSA-N -2 3 417.405 3.754 20 0 HHADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccccc1 ZINC000551912464 1012021939 /nfs/dbraw/zinc/02/19/39/1012021939.db2.gz DXJJMQHALWDYNA-GFCCVEGCSA-N -2 3 407.797 3.506 20 0 HHADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cc(C(F)(F)F)c3)ccc2O1 ZINC000592006542 1074655590 /nfs/dbraw/zinc/65/55/90/1074655590.db2.gz ILIXPNXBCAODLK-SECBINFHSA-N -2 3 401.362 3.528 20 0 HHADHL CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000022024523 963580122 /nfs/dbraw/zinc/58/01/22/963580122.db2.gz CRCGPPUYMCLJDS-UHFFFAOYSA-N -2 3 414.483 3.534 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(C3CC3)sc2c1 ZINC000063879339 966986019 /nfs/dbraw/zinc/98/60/19/966986019.db2.gz IMSSGYCHJKWOBE-UHFFFAOYSA-N -2 3 404.469 3.687 20 0 HHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Oc2ncccn2)cc1C ZINC000065223709 967411024 /nfs/dbraw/zinc/41/10/24/967411024.db2.gz SAIZHTHLMGRHEP-UHFFFAOYSA-N -2 3 413.455 3.639 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nc(C3CC3)no2)c1 ZINC000538298939 1013833709 /nfs/dbraw/zinc/83/37/09/1013833709.db2.gz RPQUCXNTMXZTIS-UHFFFAOYSA-N -2 3 421.862 3.782 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000538299095 1013834560 /nfs/dbraw/zinc/83/45/60/1013834560.db2.gz QDZLVAXCCDSSHX-UHFFFAOYSA-N -2 3 418.515 3.606 20 0 HHADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000554705139 1014022651 /nfs/dbraw/zinc/02/26/51/1014022651.db2.gz IIRRYTBDUOYXMR-SECBINFHSA-N -2 3 412.733 3.518 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2Br)c1Cl ZINC000314009142 972636640 /nfs/dbraw/zinc/63/66/40/972636640.db2.gz NUIVLNJPJUYGGE-UHFFFAOYSA-N -2 3 410.698 3.971 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Br)cc2Cl)c(F)c1 ZINC000315815678 972646926 /nfs/dbraw/zinc/64/69/26/972646926.db2.gz BEQZCNFRYWHGAH-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Br)c2C)c(C)c1 ZINC000325375764 972732008 /nfs/dbraw/zinc/73/20/08/972732008.db2.gz UVEXULBZUWMTTG-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(C)cc(C)cc3OC)c2)n1 ZINC000434634433 980310456 /nfs/dbraw/zinc/31/04/56/980310456.db2.gz RNEOQJASDKDKCG-UHFFFAOYSA-N -2 3 413.499 3.838 20 0 HHADHL CCc1occc1C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000435801796 981037222 /nfs/dbraw/zinc/03/72/22/981037222.db2.gz VVLKCMLSONLSAM-UHFFFAOYSA-N -2 3 416.455 3.609 20 0 HHADHL CC[C@@H](C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436555052 981440079 /nfs/dbraw/zinc/44/00/79/981440079.db2.gz IEBQGVHNTYCNRE-OAHLLOKOSA-N -2 3 420.531 3.710 20 0 HHADHL CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436588314 981461997 /nfs/dbraw/zinc/46/19/97/981461997.db2.gz ZYMXUXWXWDRXCB-ZDUSSCGKSA-N -2 3 408.907 3.719 20 0 HHADHL CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000436589193 981462713 /nfs/dbraw/zinc/46/27/13/981462713.db2.gz PBHUOBNILGADJJ-UHFFFAOYSA-N -2 3 405.479 3.966 20 0 HHADHL O=C(c1ccccc1[O-])N1CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])CC1 ZINC000436591816 981463975 /nfs/dbraw/zinc/46/39/75/981463975.db2.gz YJZCSTCCYPQCFQ-UHFFFAOYSA-N -2 3 410.857 3.503 20 0 HHADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000436607926 981471773 /nfs/dbraw/zinc/47/17/73/981471773.db2.gz SLDVEPJVGUEPFS-UHFFFAOYSA-N -3 3 424.887 3.866 20 0 HHADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000436634518 981485116 /nfs/dbraw/zinc/48/51/16/981485116.db2.gz LUIQSGVKTLGHJG-UHFFFAOYSA-N -2 3 408.785 3.688 20 0 HHADHL CN(C(=O)c1cc(F)ccc1[O-])[C@H]1CCCC[C@@H]1N(C)C(=O)c1cc(F)ccc1[O-] ZINC000436663091 981499080 /nfs/dbraw/zinc/49/90/80/981499080.db2.gz KNBADDFYEAYDTK-ROUUACIJSA-N -2 3 418.440 3.531 20 0 HHADHL CCCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436668286 981501459 /nfs/dbraw/zinc/50/14/59/981501459.db2.gz XIAFQNOHDIGBFX-HNNXBMFYSA-N -2 3 420.531 3.852 20 0 HHADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])[C@@H]1CC1(C)C ZINC000436728232 981533854 /nfs/dbraw/zinc/53/38/54/981533854.db2.gz JDIRVSPYTKNSAL-QGZVFWFLSA-N -2 3 408.907 3.717 20 0 HHADHL COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(O)c3)cc2)cc1 ZINC000436770010 981554495 /nfs/dbraw/zinc/55/44/95/981554495.db2.gz KXBMGRYMSJYYQH-UHFFFAOYSA-N -2 3 415.423 3.692 20 0 HHADHL O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)c2cc(F)c([O-])c(F)c2)CC1 ZINC000436964877 981651903 /nfs/dbraw/zinc/65/19/03/981651903.db2.gz HUNFMVYBYRGJEX-UHFFFAOYSA-N -2 3 410.804 3.520 20 0 HHADHL CC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436986286 981668246 /nfs/dbraw/zinc/66/82/46/981668246.db2.gz HAKZSLZBWSYJGW-OAHLLOKOSA-N -2 3 418.515 3.606 20 0 HHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccnc2-c2csc(C)c2)ccc1[O-] ZINC000437674886 982289364 /nfs/dbraw/zinc/28/93/64/982289364.db2.gz NJCWLQGFKMPEIB-UHFFFAOYSA-N -2 3 403.485 3.583 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1Cl ZINC000438764899 983056184 /nfs/dbraw/zinc/05/61/84/983056184.db2.gz HBSBOJAHLVSMIV-UHFFFAOYSA-N -2 3 412.254 3.678 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nccc(C)n3)cc2)cc1C(=O)[O-] ZINC000440828671 983926471 /nfs/dbraw/zinc/92/64/71/983926471.db2.gz BRPSQRFDCSJBLC-UHFFFAOYSA-N -2 3 413.455 3.639 20 0 HHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cc2)n[nH]1 ZINC000469310704 987023143 /nfs/dbraw/zinc/02/31/43/987023143.db2.gz YACCKNTWUNSWGA-UHFFFAOYSA-N -2 3 407.835 3.663 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1CCC(F)(F)F ZINC000464839742 989083972 /nfs/dbraw/zinc/08/39/72/989083972.db2.gz YSOAEVMUHOYPHP-UHFFFAOYSA-N -2 3 403.378 3.695 20 0 HHADHL Cc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000467747252 992994509 /nfs/dbraw/zinc/99/45/09/992994509.db2.gz RQQCPSXNBRDKPT-UHFFFAOYSA-N -2 3 403.378 3.586 20 0 HHADHL O=S(=O)([N-]c1ccc(Cc2nnn[n-]2)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000481609378 994463381 /nfs/dbraw/zinc/46/33/81/994463381.db2.gz NPFMIAAKFDYUGE-UHFFFAOYSA-N -2 3 418.693 3.552 20 0 HHADHL O=S(=O)([N-]c1ccc(Cc2nn[n-]n2)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000481609378 994463389 /nfs/dbraw/zinc/46/33/89/994463389.db2.gz NPFMIAAKFDYUGE-UHFFFAOYSA-N -2 3 418.693 3.552 20 0 HHADHL COc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c(Cl)cc1C(=O)[O-] ZINC000485257258 997648123 /nfs/dbraw/zinc/64/81/23/997648123.db2.gz VLAFZMGKORILGY-UHFFFAOYSA-N -2 3 412.197 3.779 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)ccc1C(=O)[O-] ZINC000480204176 999744471 /nfs/dbraw/zinc/74/44/71/999744471.db2.gz RTDVOPXUKGDLTG-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1F ZINC000489726902 999825763 /nfs/dbraw/zinc/82/57/63/999825763.db2.gz HZFXZYJNMWPIES-UHFFFAOYSA-N -2 3 411.414 3.664 20 0 HHADHL Cc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000504524690 1000250841 /nfs/dbraw/zinc/25/08/41/1000250841.db2.gz PQVFCMXNUMCJSP-UHFFFAOYSA-N -2 3 403.378 3.668 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000506726529 1001506685 /nfs/dbraw/zinc/50/66/85/1001506685.db2.gz NDUYDCIZOMTTLJ-UHFFFAOYSA-N -2 3 408.526 3.658 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3noc(C4CC4)n3)c2)c(C)c1C(=O)[O-] ZINC000512730785 1004523922 /nfs/dbraw/zinc/52/39/22/1004523922.db2.gz UZDJHINKHLMJNI-UHFFFAOYSA-N -2 3 413.455 3.730 20 0 HHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)cc2)n[nH]1 ZINC000531833967 1006457635 /nfs/dbraw/zinc/45/76/35/1006457635.db2.gz KCMJDQHKTFMPPD-UHFFFAOYSA-N -2 3 401.444 3.626 20 0 HHADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)cc2F)n1 ZINC000515629997 1006567430 /nfs/dbraw/zinc/56/74/30/1006567430.db2.gz NYAMVIRUADLYGV-UHFFFAOYSA-N -2 3 417.462 3.744 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@H](C)C2)c1 ZINC000539562416 1007876912 /nfs/dbraw/zinc/87/69/12/1007876912.db2.gz GQESXDGEVMZCDK-KBPBESRZSA-N -2 3 404.488 3.576 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC(F)(F)F)c1 ZINC000540501310 1008457744 /nfs/dbraw/zinc/45/77/44/1008457744.db2.gz KVWJCXLRDGSROD-UHFFFAOYSA-N -2 3 411.785 3.796 20 0 HHADHL COc1cc(S(=O)(=O)[N-]c2ccc(CCC(C)C)cc2)cc(C(=O)[O-])c1OC ZINC000521109019 1010129230 /nfs/dbraw/zinc/12/92/30/1010129230.db2.gz ICMYQCCXRINXJJ-UHFFFAOYSA-N -2 3 407.488 3.791 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)sc1Br ZINC000547612335 1010363939 /nfs/dbraw/zinc/36/39/39/1010363939.db2.gz HEEYZKHMXMSUCJ-LLVKDONJSA-N -2 3 424.725 3.577 20 0 HHADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000547618082 1010365110 /nfs/dbraw/zinc/36/51/10/1010365110.db2.gz UPBIPITVZFUVDR-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551245095 1010462249 /nfs/dbraw/zinc/46/22/49/1010462249.db2.gz RVPXFTVHSYSOQL-SECBINFHSA-N -2 3 412.733 3.660 20 0 HHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)c1Cl ZINC000547935206 1010473522 /nfs/dbraw/zinc/47/35/22/1010473522.db2.gz WBSLXMGPNOSRIM-CYBMUJFWSA-N -2 3 402.299 3.839 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)c(C)c1 ZINC000548208108 1010560958 /nfs/dbraw/zinc/56/09/58/1010560958.db2.gz SQJBDNQKPSGCSE-UHFFFAOYSA-N -2 3 418.496 3.550 20 0 HHADHL Cc1ccc2cccc(S(=O)(=O)[N-]c3cc(C(=O)[O-])ccc3Br)c2n1 ZINC000548224266 1010565465 /nfs/dbraw/zinc/56/54/65/1010565465.db2.gz WFZGYVWJVBNNTH-UHFFFAOYSA-N -2 3 421.272 3.805 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1Br ZINC000548531007 1010657416 /nfs/dbraw/zinc/65/74/16/1010657416.db2.gz NUTKVBTZSCSGAS-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)c(C)c1CC(=O)[O-] ZINC000541076657 1011716922 /nfs/dbraw/zinc/71/69/22/1011716922.db2.gz BIRYPYHQGJLJHC-UHFFFAOYSA-N -2 3 417.405 3.780 20 0 HHADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000551996468 1012039489 /nfs/dbraw/zinc/03/94/89/1012039489.db2.gz UMOPKOXPDLUXRH-UHFFFAOYSA-N -2 3 407.797 3.578 20 0 HHADHL C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761233291 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Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000071974507 968917650 /nfs/dbraw/zinc/91/76/50/968917650.db2.gz RHEWSYGZKAFSRM-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-n2cnc3ccccc32)cc1 ZINC000105109309 969220705 /nfs/dbraw/zinc/22/07/05/969220705.db2.gz YOCAHTXDHKPQET-UHFFFAOYSA-N -2 3 407.451 3.833 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)ccc1OCC(=O)[O-] ZINC000109764461 969561303 /nfs/dbraw/zinc/56/13/03/969561303.db2.gz JGDDGMSAOXKDPW-UHFFFAOYSA-N -2 3 416.499 3.870 20 0 HHADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000236719572 970162663 /nfs/dbraw/zinc/16/26/63/970162663.db2.gz CZLADONTDVNTCC-CYBMUJFWSA-N -2 3 416.293 3.806 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1Br ZINC000317438219 972656209 /nfs/dbraw/zinc/65/62/09/972656209.db2.gz QPRWWUAFJOHMBI-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1Cl ZINC000319110867 972669830 /nfs/dbraw/zinc/66/98/30/972669830.db2.gz ZDKJEMHVNWURRX-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c(F)c1 ZINC000322587183 972700592 /nfs/dbraw/zinc/70/05/92/972700592.db2.gz JUYLTIXITRVQQX-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1C(=O)[O-] ZINC000323130630 972708804 /nfs/dbraw/zinc/70/88/04/972708804.db2.gz XPUBXVBZSSWLAR-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(C)c1 ZINC000325472164 972732875 /nfs/dbraw/zinc/73/28/75/972732875.db2.gz GBLIILVTLDMSOA-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)cc2c1C ZINC000427300724 975036904 /nfs/dbraw/zinc/03/69/04/975036904.db2.gz FVYWTXFGBABZAX-UHFFFAOYSA-N -2 3 421.402 3.556 20 0 HHADHL CC[C@@H](C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436519713 981414273 /nfs/dbraw/zinc/41/42/73/981414273.db2.gz AGZYJYKZGWZARS-CYBMUJFWSA-N -2 3 410.923 3.965 20 0 HHADHL Cc1cccc(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)c1[O-] ZINC000436567576 981449385 /nfs/dbraw/zinc/44/93/85/981449385.db2.gz XYCGIDYIWRGXAR-UHFFFAOYSA-N -2 3 406.460 3.954 20 0 HHADHL C[C@H](NC(=O)c1ccccc1[O-])c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000436601351 981468638 /nfs/dbraw/zinc/46/86/38/981468638.db2.gz BKDDKEUQNRODIF-ZDUSSCGKSA-N -2 3 402.497 3.746 20 0 HHADHL CC(C)[C@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436688112 981513001 /nfs/dbraw/zinc/51/30/01/981513001.db2.gz KMVZCXUALSDEEH-QGZVFWFLSA-N -2 3 408.907 3.717 20 0 HHADHL CC(C)[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436688109 981513332 /nfs/dbraw/zinc/51/33/32/981513332.db2.gz KMVZCXUALSDEEH-KRWDZBQOSA-N -2 3 408.907 3.717 20 0 HHADHL CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436749499 981544569 /nfs/dbraw/zinc/54/45/69/981544569.db2.gz YSCFCUUDYGNGLC-HUUCEWRRSA-N -2 3 418.515 3.605 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC[C@@H]2CCC[C@H]21 ZINC000436826850 981578548 /nfs/dbraw/zinc/57/85/48/981578548.db2.gz BQYRALOJADATRH-SCLBCKFNSA-N -2 3 420.918 3.861 20 0 HHADHL Cc1ccc(NC(=O)c2c([O-])cccc2F)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000436972832 981658590 /nfs/dbraw/zinc/65/85/90/981658590.db2.gz QDVSUQXDJUILSG-UHFFFAOYSA-N -2 3 400.431 3.893 20 0 HHADHL O=C(Cc1ccc(CC(=O)Nc2ccc(F)cc2[O-])cc1)Nc1ccc(F)cc1[O-] ZINC000461459283 983125972 /nfs/dbraw/zinc/12/59/72/983125972.db2.gz BVWWLWYEJOIHPO-UHFFFAOYSA-N -2 3 412.392 3.738 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3C)c(F)c2)cc1C(=O)[O-] ZINC000441323634 984183594 /nfs/dbraw/zinc/18/35/94/984183594.db2.gz OGBGYVCNTJHSAI-UHFFFAOYSA-N -2 3 417.462 3.690 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(Cl)c2)cc1 ZINC000443412328 985568008 /nfs/dbraw/zinc/56/80/08/985568008.db2.gz BCSXZSXIQOFDAD-UHFFFAOYSA-N -2 3 409.769 3.780 20 0 HHADHL Cc1nc(C=Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443442324 985602547 /nfs/dbraw/zinc/60/25/47/985602547.db2.gz LGJUHWQFNXCJEC-YCOJEUHLSA-N -2 3 418.877 3.889 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])c2)n1 ZINC000468616269 986331604 /nfs/dbraw/zinc/33/16/04/986331604.db2.gz XJVMQRKUFVIFMF-UHFFFAOYSA-N -2 3 419.416 3.694 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)ccc1OCCCC(=O)[O-] ZINC000468761235 986474830 /nfs/dbraw/zinc/47/48/30/986474830.db2.gz ANUWZXIXWBRLDH-UHFFFAOYSA-N -2 3 419.499 3.753 20 0 HHADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc(C)c1OCc1ccccn1 ZINC000470260301 988207093 /nfs/dbraw/zinc/20/70/93/988207093.db2.gz AUGODBZUSIKBPK-FPLPWBNLSA-N -2 3 405.454 3.879 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3nc(C)co3)ccc2C)cc1C(=O)[O-] ZINC000470452446 988433461 /nfs/dbraw/zinc/43/34/61/988433461.db2.gz GKFVSVOLQWCRPI-UHFFFAOYSA-N -2 3 416.455 3.856 20 0 HHADHL CCOc1c(Cl)cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000464528492 988705817 /nfs/dbraw/zinc/70/58/17/988705817.db2.gz MSTHHXJBJZVKLB-UHFFFAOYSA-N -2 3 420.270 3.656 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1C(=O)[O-] ZINC000464830159 989069472 /nfs/dbraw/zinc/06/94/72/989069472.db2.gz KOQKNXCELFUTQF-UHFFFAOYSA-N -2 3 403.378 3.689 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(OCc2ccccn2)c(F)c1 ZINC000466270630 991516204 /nfs/dbraw/zinc/51/62/04/991516204.db2.gz SCRJOPDSTSPQSJ-UHFFFAOYSA-N -2 3 416.430 3.607 20 0 HHADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000484870297 997234991 /nfs/dbraw/zinc/23/49/91/997234991.db2.gz IAZPSVJKDXUBRJ-ZDUSSCGKSA-N -2 3 402.299 3.748 20 0 HHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000484935092 997311804 /nfs/dbraw/zinc/31/18/04/997311804.db2.gz KTOAGCFYQONBNT-UHFFFAOYSA-N -2 3 403.378 3.830 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1F ZINC000489729078 999826267 /nfs/dbraw/zinc/82/62/67/999826267.db2.gz RCAKSOYRUVYWCK-UHFFFAOYSA-N -2 3 401.415 3.904 20 0 HHADHL C[C@@H](Sc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1)C(=O)[O-] ZINC000504665439 1000315839 /nfs/dbraw/zinc/31/58/39/1000315839.db2.gz FZVYOLYTIKCACY-LLVKDONJSA-N -2 3 417.455 3.697 20 0 HHADHL Cc1nc(C=Cc2cn(Cc3ccccc3)nc2C(C)(C)C)[n-]c(=O)c1CC(=O)[O-] ZINC000504734108 1000346885 /nfs/dbraw/zinc/34/68/85/1000346885.db2.gz WXPCCKCDOZKYMC-KHPPLWFESA-N -2 3 406.486 3.830 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1Cl ZINC000494535395 1000542868 /nfs/dbraw/zinc/54/28/68/1000542868.db2.gz BLEAQSSAWFXZAU-UHFFFAOYSA-N -2 3 409.769 3.780 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2sccc2F)c1 ZINC000497095031 1001269159 /nfs/dbraw/zinc/26/91/59/1001269159.db2.gz QSZLQIILHHHJBF-UHFFFAOYSA-N -2 3 422.459 3.655 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(Br)c(Cl)c2)c1 ZINC000507639858 1002241218 /nfs/dbraw/zinc/24/12/18/1002241218.db2.gz YYOSQDANOOWXLO-UHFFFAOYSA-N -2 3 410.648 3.757 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(C)cc(C)c3OC)c2)n1 ZINC000509104804 1003555571 /nfs/dbraw/zinc/55/55/71/1003555571.db2.gz ZDVKKJHQVZAOAQ-UHFFFAOYSA-N -2 3 413.499 3.838 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3cncc(F)c3)ccc2C)cc1C(=O)[O-] ZINC000509378045 1003807733 /nfs/dbraw/zinc/80/77/33/1003807733.db2.gz IRLLBJWVLMJURM-UHFFFAOYSA-N -2 3 416.430 3.704 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1C(=O)[O-] ZINC000515625815 1006564337 /nfs/dbraw/zinc/56/43/37/1006564337.db2.gz GNXXAJHOULYLOH-UHFFFAOYSA-N -2 3 404.469 3.626 20 0 HHADHL O=S(=O)([N-]c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1)c1ccccc1 ZINC000515632173 1006568658 /nfs/dbraw/zinc/56/86/58/1006568658.db2.gz NOWVRBYBASGYHU-UHFFFAOYSA-N -2 3 422.915 3.942 20 0 HHADHL CC[C@@]1(C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000532070691 1006614420 /nfs/dbraw/zinc/61/44/20/1006614420.db2.gz RSHFKMBYFXTVNK-VLIAUNLRSA-N -2 3 404.488 3.576 20 0 HHADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c2ccccc12 ZINC000538683902 1006965586 /nfs/dbraw/zinc/96/55/86/1006965586.db2.gz JDIKOGCZGZWYNY-UHFFFAOYSA-N -2 3 416.430 3.745 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)cc1CC(=O)[O-] ZINC000540339665 1008388084 /nfs/dbraw/zinc/38/80/84/1008388084.db2.gz SIESMRIDIGRFBW-UHFFFAOYSA-N -2 3 413.879 3.564 20 0 HHADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1)C(=O)[O-] ZINC000543661075 1009269248 /nfs/dbraw/zinc/26/92/48/1009269248.db2.gz DLPGAXZHWOSCTG-ZDUSSCGKSA-N -2 3 418.446 3.686 20 0 HHADHL COC(=O)c1cc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[n-]s2)c[n-]1 ZINC000550767191 1010164221 /nfs/dbraw/zinc/16/42/21/1010164221.db2.gz MPNHPJMBJGQJJP-UHFFFAOYSA-N -2 3 420.450 3.786 20 0 HHADHL CCOC(=O)c1cnc(/C=C/c2ccc(OC)c([O-])c2Br)c(C(=O)[O-])c1 ZINC000544876769 1010456511 /nfs/dbraw/zinc/45/65/11/1010456511.db2.gz JCVDKVYUENKSEQ-GQCTYLIASA-N -2 3 422.231 3.604 20 0 HHADHL COc1ccc([C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000547891047 1010462142 /nfs/dbraw/zinc/46/21/42/1010462142.db2.gz POCHTPAMYAUSHJ-LLVKDONJSA-N -2 3 424.327 3.948 20 0 HHADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1)c1cc([O-])ccc1Cl ZINC000551390961 1010556750 /nfs/dbraw/zinc/55/67/50/1010556750.db2.gz JEFFBVFLOTZATH-UHFFFAOYSA-N -2 3 409.876 3.555 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1Br ZINC000548568184 1010667900 /nfs/dbraw/zinc/66/79/00/1010667900.db2.gz VSVNRNHIIWWEBW-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)ccc1OCCCC(=O)[O-] ZINC000522401889 1010983590 /nfs/dbraw/zinc/98/35/90/1010983590.db2.gz PQBXFAXYOLLSAF-UHFFFAOYSA-N -2 3 416.455 3.694 20 0 HHADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(C(=O)[O-])c1 ZINC000523585832 1012137088 /nfs/dbraw/zinc/13/70/88/1012137088.db2.gz FLNRCOUBSVQVTD-UHFFFAOYSA-N -2 3 404.488 3.787 20 0 HHADHL Cc1ccc(-c2ccncc2)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000523588363 1012142181 /nfs/dbraw/zinc/14/21/81/1012142181.db2.gz MYRWIGYQAAZZPJ-UHFFFAOYSA-N -2 3 412.467 3.630 20 0 HHADHL CC[C@@H](C)CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000552138995 1012158865 /nfs/dbraw/zinc/15/88/65/1012158865.db2.gz OXVONWDRRRAGJK-CQSZACIVSA-N -2 3 406.504 3.966 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000537196441 1012613680 /nfs/dbraw/zinc/61/36/80/1012613680.db2.gz PZQXZZXSEWFJPD-UHFFFAOYSA-N -2 3 423.384 3.619 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc(Cl)c1Cl ZINC000729665068 1071777658 /nfs/dbraw/zinc/77/76/58/1071777658.db2.gz CDFRFNBCJPPMRQ-UHFFFAOYSA-N -2 3 400.161 3.910 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)cc1C(=O)[O-] ZINC000589939269 1073423541 /nfs/dbraw/zinc/42/35/41/1073423541.db2.gz PQCDSRUEVIIOMA-UHFFFAOYSA-N -2 3 405.472 3.511 20 0 HHADHL O=C([N-]CC[C@@H]1CN(C(=O)c2cc(Cl)ccc2[O-])c2ccccc21)C(F)(F)F ZINC001649005586 1074159508 /nfs/dbraw/zinc/15/95/08/1074159508.db2.gz ISPZNQPBUPTCDZ-LLVKDONJSA-N -2 3 412.795 3.858 20 0 HHADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000573777717 1074652629 /nfs/dbraw/zinc/65/26/29/1074652629.db2.gz DGECDFPJOVEICG-UWVGGRQHSA-N -2 3 412.733 3.660 20 0 HHADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1Br)C(=O)[O-] ZINC000573777723 1074653188 /nfs/dbraw/zinc/65/31/88/1074653188.db2.gz DGECDFPJOVEICG-ZJUUUORDSA-N -2 3 412.733 3.660 20 0 HHADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cc(C(=O)[O-])cc(C(F)(F)F)c3)ccc2O1 ZINC000592006543 1074655669 /nfs/dbraw/zinc/65/56/69/1074655669.db2.gz ILIXPNXBCAODLK-VIFPVBQESA-N -2 3 401.362 3.528 20 0 HHADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccc(C)c(C)c3)cc2)cc(=O)[n-]1 ZINC000584328563 939797151 /nfs/dbraw/zinc/79/71/51/939797151.db2.gz COYKYAYPAKECTQ-FQEVSTJZSA-N -2 3 406.442 3.722 20 0 HHADHL O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1 ZINC000016097062 962943657 /nfs/dbraw/zinc/94/36/57/962943657.db2.gz MJMLDXJDPJPENP-UHFFFAOYSA-N -2 3 422.915 3.942 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(C)c2)c1 ZINC000028835814 965195074 /nfs/dbraw/zinc/19/50/74/965195074.db2.gz VSHVNKRGAQKPTJ-UHFFFAOYSA-N -2 3 412.467 3.762 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)cc1C(=O)[O-] ZINC000538012877 1013585236 /nfs/dbraw/zinc/58/52/36/1013585236.db2.gz WBANFYQFIQWWDO-UHFFFAOYSA-N -2 3 413.451 3.773 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000032631518 966298306 /nfs/dbraw/zinc/29/83/06/966298306.db2.gz SQVWSLCGWXQOEA-IBGZPJMESA-N -2 3 422.462 3.855 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000032631519 966298522 /nfs/dbraw/zinc/29/85/22/966298522.db2.gz SQVWSLCGWXQOEA-LJQANCHMSA-N -2 3 422.462 3.855 20 0 HHADHL COc1cc(/C=C/C(=O)c2cccc(O[C@@H](C)C(=O)[O-])c2)cc(Br)c1[O-] ZINC000062692801 966727205 /nfs/dbraw/zinc/72/72/05/966727205.db2.gz SYOQIDIVYXUWRZ-MLRMMBSGSA-N -2 3 421.243 3.911 20 0 HHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1cc(=O)c2ccccc2[n-]1 ZINC000064510003 967218861 /nfs/dbraw/zinc/21/88/61/967218861.db2.gz XCEXRZWYTWBNAC-UHFFFAOYSA-N -2 3 419.462 3.581 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c(C)c1CC(=O)[O-] ZINC000542936928 1013770845 /nfs/dbraw/zinc/77/08/45/1013770845.db2.gz RLAUELBKNNWMRE-UHFFFAOYSA-N -2 3 400.456 3.695 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)ccc2Cl)c(Br)c1 ZINC000318761640 972666280 /nfs/dbraw/zinc/66/62/80/972666280.db2.gz ZDFOUOPEKTZTRC-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CC(C)(CC[N-]S(=O)(=O)c1c(Cl)cccc1Br)CCC(=O)[O-] ZINC000319407898 972671489 /nfs/dbraw/zinc/67/14/89/972671489.db2.gz UTAAWLJGSWFTLF-UHFFFAOYSA-N -2 3 412.733 3.662 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1Cl ZINC000319690665 972672819 /nfs/dbraw/zinc/67/28/19/972672819.db2.gz JAXOTDLELKXSJN-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c1 ZINC000387498133 972801914 /nfs/dbraw/zinc/80/19/14/972801914.db2.gz LKNOKNIHZQOYEQ-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C(Nc1ccc([O-])c(Cl)c1)[C@@H]1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)O1 ZINC000427649329 975224005 /nfs/dbraw/zinc/22/40/05/975224005.db2.gz XBJLWGIXYKNVOP-HOTGVXAUSA-N -2 3 411.241 3.529 20 0 HHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c(C(F)(F)F)c1 ZINC000433523298 979357156 /nfs/dbraw/zinc/35/71/56/979357156.db2.gz AQEDKRBYUMALBJ-UHFFFAOYSA-N -3 3 419.377 3.697 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Br)CCC3)c(F)c1 ZINC000435725175 981003871 /nfs/dbraw/zinc/00/38/71/981003871.db2.gz ZULNCAACRUBBBV-UHFFFAOYSA-N -2 3 414.252 3.576 20 0 HHADHL Cc1ccc(NC(=O)c2cc(F)ccc2[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000436528774 981421120 /nfs/dbraw/zinc/42/11/20/981421120.db2.gz PKXKOWPJZFPJRB-UHFFFAOYSA-N -2 3 400.431 3.893 20 0 HHADHL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])[C@H]1C ZINC000436560350 981444195 /nfs/dbraw/zinc/44/41/95/981444195.db2.gz BIGJPANPMONDGS-OLZOCXBDSA-N -2 3 408.907 3.717 20 0 HHADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000436600443 981468070 /nfs/dbraw/zinc/46/80/70/981468070.db2.gz FEMZKQSRXVWBPG-UHFFFAOYSA-N -3 3 424.887 3.866 20 0 HHADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc(OCc2ccccc2)ccc1[O-] ZINC000436689542 981513723 /nfs/dbraw/zinc/51/37/23/981513723.db2.gz OJPMYVJLCPZGKR-UHFFFAOYSA-N -2 3 402.410 3.714 20 0 HHADHL CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436823166 981577221 /nfs/dbraw/zinc/57/72/21/981577221.db2.gz ZTMISKWYTHXKEA-UHFFFAOYSA-N -2 3 414.483 3.534 20 0 HHADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439046096 983226194 /nfs/dbraw/zinc/22/61/94/983226194.db2.gz VXTQHICZPVWHFD-UHFFFAOYSA-N -2 3 402.563 3.526 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CN(C(C)=O)C(C)C)cc2)cc1C(=O)[O-] ZINC000440820236 983921084 /nfs/dbraw/zinc/92/10/84/983921084.db2.gz YBLVSQHDPMEYRX-UHFFFAOYSA-N -2 3 418.515 3.505 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c(C)c1CC(=O)[O-] ZINC000442254269 984775265 /nfs/dbraw/zinc/77/52/65/984775265.db2.gz WZDAJJPLGUQSMW-UHFFFAOYSA-N -2 3 403.834 3.971 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1Cc1ccccc1 ZINC000481950471 994831002 /nfs/dbraw/zinc/83/10/02/994831002.db2.gz BOQDBPPMKJPTBH-UHFFFAOYSA-N -2 3 411.479 3.714 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)F)c(C(F)(F)F)c2)c1 ZINC000475835326 996403148 /nfs/dbraw/zinc/40/31/48/996403148.db2.gz TYUKGOUPEYFPAH-UHFFFAOYSA-N -2 3 413.320 3.822 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)cc1C(=O)[O-] ZINC000476385583 996830319 /nfs/dbraw/zinc/83/03/19/996830319.db2.gz MUBADBJAVNKLCV-UHFFFAOYSA-N -2 3 407.488 3.818 20 0 HHADHL Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504743385 1000350891 /nfs/dbraw/zinc/35/08/91/1000350891.db2.gz VXULVMGRPOQPQR-CMDGGOBGSA-N -2 3 412.877 3.803 20 0 HHADHL CC[C@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000505753881 1001007040 /nfs/dbraw/zinc/00/70/40/1001007040.db2.gz ZUEMOOFIBZTBIE-KBPBESRZSA-N -2 3 406.504 3.822 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1NC(=O)c1ccco1 ZINC000506710323 1001501430 /nfs/dbraw/zinc/50/14/30/1001501430.db2.gz FXHVPUPUALEJIV-UHFFFAOYSA-N -2 3 414.439 3.648 20 0 HHADHL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1C ZINC000512724956 1004519611 /nfs/dbraw/zinc/51/96/11/1004519611.db2.gz IJAHDGDTLDNMEI-UHFFFAOYSA-N -2 3 404.488 3.849 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)cc1C(=O)[O-] ZINC000501816048 1004754990 /nfs/dbraw/zinc/75/49/90/1004754990.db2.gz DPAVYNTWEOAKNZ-UHFFFAOYSA-N -2 3 416.480 3.808 20 0 HHADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000501998860 1004853660 /nfs/dbraw/zinc/85/36/60/1004853660.db2.gz JVKPBEQSGWDFRZ-UHFFFAOYSA-N -2 3 405.241 3.746 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c(Br)c1 ZINC000532648285 1007066357 /nfs/dbraw/zinc/06/63/57/1007066357.db2.gz GLXIONDXWLBCPB-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000543166501 1008742402 /nfs/dbraw/zinc/74/24/02/1008742402.db2.gz RYTXINMNPFXJMM-NSHDSACASA-N -2 3 403.378 3.964 20 0 HHADHL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)c1 ZINC000543865558 1009433430 /nfs/dbraw/zinc/43/34/30/1009433430.db2.gz XZSJGPSUFSTXBP-UHFFFAOYSA-N -2 3 418.515 3.778 20 0 HHADHL COc1ccc(Br)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000547546468 1010346585 /nfs/dbraw/zinc/34/65/85/1010346585.db2.gz UJBUEKVPBLNOGV-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL Cc1cc(F)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)cc1F ZINC000548223998 1010565292 /nfs/dbraw/zinc/56/52/92/1010565292.db2.gz OINFVGWMMSHGDT-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C23CCC(CC2)C3)c1 ZINC000541439226 1012194779 /nfs/dbraw/zinc/19/47/79/1012194779.db2.gz OSNWHTYDJUZPAN-UHFFFAOYSA-N -2 3 416.499 3.720 20 0 HHADHL C[C@@H](Oc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000523729873 1012346652 /nfs/dbraw/zinc/34/66/52/1012346652.db2.gz RDPKEFCBQLBQJR-CQSZACIVSA-N -2 3 422.462 3.511 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(NC(=O)c3ccccc3)ccc2C)c1 ZINC000537195430 1012610308 /nfs/dbraw/zinc/61/03/08/1012610308.db2.gz XERRGZZMMDOYLC-UHFFFAOYSA-N -2 3 412.467 3.762 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000537196701 1012613266 /nfs/dbraw/zinc/61/32/66/1012613266.db2.gz IWCYFIKBRGRCDS-UHFFFAOYSA-N -2 3 410.451 3.934 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c(F)c1 ZINC000591678699 1074461930 /nfs/dbraw/zinc/46/19/30/1074461930.db2.gz LCPRXUDFYKRJAT-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H](c2ccc(Cl)cc2)C2CC2)c(F)cc1F ZINC000761242991 1075719874 /nfs/dbraw/zinc/71/98/74/1075719874.db2.gz LVNUXAASEWRMJB-MRXNPFEDSA-N -2 3 401.818 3.746 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)c(C)c1CC(=O)[O-] ZINC000542236855 1013195374 /nfs/dbraw/zinc/19/53/74/1013195374.db2.gz GFSDGTLWAIZYOE-LBPRGKRZSA-N -3 3 419.499 3.618 20 0 HHADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000013264942 962380885 /nfs/dbraw/zinc/38/08/85/962380885.db2.gz ZFMBBCHYNLSCEK-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CN(Cc1ccco1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000014057680 962412970 /nfs/dbraw/zinc/41/29/70/962412970.db2.gz PCWMCNXPHLVBLE-UHFFFAOYSA-N -2 3 420.874 3.712 20 0 HHADHL Cc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000016480104 963051789 /nfs/dbraw/zinc/05/17/89/963051789.db2.gz AQLAURLTOOUGLQ-UHFFFAOYSA-N -2 3 422.478 3.764 20 0 HHADHL C=CCn1c(Cc2csc(NC(=O)c3ccc([O-])c(Cl)c3)n2)n[n-]c1=S ZINC000026042934 964428150 /nfs/dbraw/zinc/42/81/50/964428150.db2.gz FENMDLINIYXHDU-UHFFFAOYSA-N -2 3 407.908 3.785 20 0 HHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1C ZINC000097336913 969126394 /nfs/dbraw/zinc/12/63/94/969126394.db2.gz NZDBWHWBXLJNRP-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000327599484 972760437 /nfs/dbraw/zinc/76/04/37/972760437.db2.gz HXEVMVLTYDQOMI-UHFFFAOYSA-N -2 3 421.272 3.805 20 0 HHADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000389289814 972811893 /nfs/dbraw/zinc/81/18/93/972811893.db2.gz XDAITCYTJOJBMF-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c1F ZINC000391939892 972846981 /nfs/dbraw/zinc/84/69/81/972846981.db2.gz NYXMUPVNNCGHIC-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2cc(Br)c(C)c(C(=O)[O-])c2)c(C)c1 ZINC000392070115 972848024 /nfs/dbraw/zinc/84/80/24/972848024.db2.gz KYBRMWRYDQICGD-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1 ZINC000393098486 972859922 /nfs/dbraw/zinc/85/99/22/972859922.db2.gz FBCUJUODAYCGKN-UHFFFAOYSA-N -2 3 402.881 3.557 20 0 HHADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC(C)C)cc1Cl ZINC000436152052 981223258 /nfs/dbraw/zinc/22/32/58/981223258.db2.gz IULHOZUCLVONSD-UHFFFAOYSA-N -2 3 413.879 3.564 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC[C@@H]2CCC[C@@H]21 ZINC000436826851 981578347 /nfs/dbraw/zinc/57/83/47/981578347.db2.gz BQYRALOJADATRH-UGSOOPFHSA-N -2 3 420.918 3.861 20 0 HHADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000460836651 982586335 /nfs/dbraw/zinc/58/63/35/982586335.db2.gz QQOUFZQFFDHPJE-UHFFFAOYSA-N -2 3 423.343 3.783 20 0 HHADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000438813058 983087517 /nfs/dbraw/zinc/08/75/17/983087517.db2.gz QZGCHCDIZAGXEX-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000440282488 983705789 /nfs/dbraw/zinc/70/57/89/983705789.db2.gz ZTHKKMKLGOXGSU-UHFFFAOYSA-N -2 3 403.378 3.689 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc1C(=O)[O-] ZINC000440836481 983930547 /nfs/dbraw/zinc/93/05/47/983930547.db2.gz GQXTVKANSCRQBC-UHFFFAOYSA-N -2 3 413.455 3.639 20 0 HHADHL COc1ccc(C(=O)Nc2cccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)c2)cc1 ZINC000470236286 988172654 /nfs/dbraw/zinc/17/26/54/988172654.db2.gz HAEMMRDDPWIXEC-IZZDOVSWSA-N -2 3 419.437 3.549 20 0 HHADHL Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000472007832 990176406 /nfs/dbraw/zinc/17/64/06/990176406.db2.gz XAKMHRITOAJJOS-UHFFFAOYSA-N -2 3 403.460 3.572 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)n1 ZINC000481588347 994433812 /nfs/dbraw/zinc/43/38/12/994433812.db2.gz TZIPCUXWRXNYRE-UHFFFAOYSA-N -2 3 424.404 3.626 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(-c3ncco3)c2)cc1C(=O)[O-] ZINC000481627540 994492642 /nfs/dbraw/zinc/49/26/42/994492642.db2.gz ZFHPMRKHBIQEIL-UHFFFAOYSA-N -2 3 402.428 3.548 20 0 HHADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000481962347 994849293 /nfs/dbraw/zinc/84/92/93/994849293.db2.gz XCHCQHUKCZJQMP-UHFFFAOYSA-N -2 3 415.442 3.833 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(COC(C)(C)C)c2C)ccc1OCC(=O)[O-] ZINC000476428833 996897891 /nfs/dbraw/zinc/89/78/91/996897891.db2.gz KMDPCDYONKLDLO-UHFFFAOYSA-N -2 3 421.515 3.883 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1OCC(F)(F)F ZINC000477424493 998115084 /nfs/dbraw/zinc/11/50/84/998115084.db2.gz DCZLVWWSXTXNIC-UHFFFAOYSA-N -2 3 403.378 3.744 20 0 HHADHL Cc1nc(C=Cc2csc(COc3ccc(Cl)cc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729619 1000344757 /nfs/dbraw/zinc/34/47/57/1000344757.db2.gz JWHAOEOTWCIODH-QPJJXVBHSA-N -2 3 417.874 3.977 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc1C(=O)[O-] ZINC000507631433 1002234754 /nfs/dbraw/zinc/23/47/54/1002234754.db2.gz ZAOGUGSAVICUSM-UHFFFAOYSA-N -2 3 403.456 3.546 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c(C)c1C(=O)[O-] ZINC000512727843 1004521705 /nfs/dbraw/zinc/52/17/05/1004521705.db2.gz BEGZQCFYWXBFSA-UHFFFAOYSA-N -2 3 403.378 3.744 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c(C)c1C(=O)[O-] ZINC000512770125 1004549494 /nfs/dbraw/zinc/54/94/94/1004549494.db2.gz AIWSIBPHIBBHRL-UHFFFAOYSA-N -2 3 412.467 3.776 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Sc3nccn3C)cc2)c(C)c1C(=O)[O-] ZINC000512794522 1004562460 /nfs/dbraw/zinc/56/24/60/1004562460.db2.gz DGIOTWVOLHZNRG-UHFFFAOYSA-N -2 3 417.512 3.687 20 0 HHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1C(=O)[O-] ZINC000534147046 1006126664 /nfs/dbraw/zinc/12/66/64/1006126664.db2.gz ALTUVMZYXQHTMB-UHFFFAOYSA-N -2 3 409.769 3.888 20 0 HHADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000515121091 1006301976 /nfs/dbraw/zinc/30/19/76/1006301976.db2.gz FMUNGMPSLOIHGK-NSHDSACASA-N -2 3 412.371 3.769 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)c(C)c1 ZINC000543166698 1008742207 /nfs/dbraw/zinc/74/22/07/1008742207.db2.gz VOXHRXHZORWDAT-UHFFFAOYSA-N -2 3 402.497 3.850 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1C ZINC000520038026 1009197416 /nfs/dbraw/zinc/19/74/16/1009197416.db2.gz XCHUAZWSSNPPNS-UHFFFAOYSA-N -2 3 403.378 3.912 20 0 HHADHL COc1cccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000547916738 1010469675 /nfs/dbraw/zinc/46/96/75/1010469675.db2.gz MLUZQCNLKOJCKJ-SNVBAGLBSA-N -2 3 410.300 3.558 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c(C)cc1Br ZINC000548217262 1010563488 /nfs/dbraw/zinc/56/34/88/1010563488.db2.gz LNOHMDJKHDCWLB-UHFFFAOYSA-N -2 3 420.231 3.843 20 0 HHADHL COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3ccc(CC(=O)[O-])cc3)cc2)cc1 ZINC000545120624 1010628437 /nfs/dbraw/zinc/62/84/37/1010628437.db2.gz QOVQBAOZJJVEEV-UHFFFAOYSA-N -2 3 413.451 3.915 20 0 HHADHL Cc1ccccc1C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000548549126 1010661902 /nfs/dbraw/zinc/66/19/02/1010661902.db2.gz HUFMFLHLABVHOC-ZDUSSCGKSA-N -2 3 402.299 3.524 20 0 HHADHL COc1ccc([O-])c(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)c1 ZINC000540670400 1011324353 /nfs/dbraw/zinc/32/43/53/1011324353.db2.gz BEFFRXYHLWHZHJ-UHFFFAOYSA-N -2 3 421.331 3.556 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)c(C)c1CC(=O)[O-] ZINC000541078241 1011718934 /nfs/dbraw/zinc/71/89/34/1011718934.db2.gz LNNYKNNZWWSFTB-UHFFFAOYSA-N -2 3 405.516 3.965 20 0 HHADHL O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC000551910986 1012022066 /nfs/dbraw/zinc/02/20/66/1012022066.db2.gz ROCMTRUBIKZTPB-LLVKDONJSA-N -2 3 409.813 3.815 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)C(C)(C)C)c1 ZINC000523749893 1012373730 /nfs/dbraw/zinc/37/37/30/1012373730.db2.gz MYNBPHQKQIPYJW-CYBMUJFWSA-N -2 3 406.504 3.822 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c(C)c1 ZINC000523872652 1012569377 /nfs/dbraw/zinc/56/93/77/1012569377.db2.gz RJNRBBMHMXVKFN-UHFFFAOYSA-N -2 3 407.488 3.747 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2C)c1F ZINC000537196670 1012613752 /nfs/dbraw/zinc/61/37/52/1012613752.db2.gz GDTFCYLCMKBSNZ-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000556049671 1074067662 /nfs/dbraw/zinc/06/76/62/1074067662.db2.gz MVZPOWXABUVZSQ-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H](c2ccc(Cl)cc2)C2CC2)c(F)cc1F ZINC000761242990 1075719943 /nfs/dbraw/zinc/71/99/43/1075719943.db2.gz LVNUXAASEWRMJB-INIZCTEOSA-N -2 3 401.818 3.746 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)NC2CCCCCC2)c1 ZINC000007230252 961078869 /nfs/dbraw/zinc/07/88/69/961078869.db2.gz KTYCPPHXVUINHC-UHFFFAOYSA-N -2 3 418.515 3.654 20 0 HHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c(F)c1 ZINC000052025409 964785580 /nfs/dbraw/zinc/78/55/80/964785580.db2.gz WNFYVBPDGNDHGA-UHFFFAOYSA-N -2 3 405.806 3.904 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(F)c2)c1 ZINC000028841750 965197866 /nfs/dbraw/zinc/19/78/66/965197866.db2.gz ORHYBXLFFUJKRU-UHFFFAOYSA-N -2 3 416.430 3.593 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)s2)c1 ZINC000028846689 965200402 /nfs/dbraw/zinc/20/04/02/965200402.db2.gz UBWHIWWUGNAQBY-UHFFFAOYSA-N -2 3 418.496 3.824 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1Oc1cccnc1 ZINC000057126408 965301198 /nfs/dbraw/zinc/30/11/98/965301198.db2.gz DCMJBVWGJJINFB-UHFFFAOYSA-N -2 3 402.403 3.820 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CC[C@@H](C)SC)c1 ZINC000537997892 1013573118 /nfs/dbraw/zinc/57/31/18/1013573118.db2.gz NRKDMISPYPYWOB-CYBMUJFWSA-N -2 3 424.544 3.672 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc(Cl)c3F)c2)n1 ZINC000055621093 965967885 /nfs/dbraw/zinc/96/78/85/965967885.db2.gz KZVJGOARUDNGQE-UHFFFAOYSA-N -2 3 407.854 3.593 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(COCc3ccco3)c2)cc1C(=O)[O-] ZINC000055633037 965977976 /nfs/dbraw/zinc/97/79/76/965977976.db2.gz DVSGNFFLLKTTEJ-UHFFFAOYSA-N -2 3 417.439 3.504 20 0 HHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1 ZINC000032590630 966289473 /nfs/dbraw/zinc/28/94/73/966289473.db2.gz USSRYMSDEXFQJO-UHFFFAOYSA-N -2 3 413.451 3.530 20 0 HHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C(=O)[O-])c2)cc1 ZINC000109854061 969578399 /nfs/dbraw/zinc/57/83/99/969578399.db2.gz FCMQNYIUTLZJNJ-UHFFFAOYSA-N -2 3 420.556 3.862 20 0 HHADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000318146441 972659084 /nfs/dbraw/zinc/65/90/84/972659084.db2.gz VGKHDTRCBPCWNI-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000318790470 972666643 /nfs/dbraw/zinc/66/66/43/972666643.db2.gz SKDJTAYMVGXLBX-JTQLQIEISA-N -2 3 412.733 3.518 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2N=S=N3)c(Br)c1 ZINC000321975622 972696634 /nfs/dbraw/zinc/69/66/34/972696634.db2.gz INPPUUQLUPUNKC-UHFFFAOYSA-N -2 3 414.262 3.675 20 0 HHADHL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000322338233 972698855 /nfs/dbraw/zinc/69/88/55/972698855.db2.gz ACNQCPGFFXSSJM-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Br ZINC000322775338 972703218 /nfs/dbraw/zinc/70/32/18/972703218.db2.gz GZZDKLNSZDIETM-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Br)c2C)c1F ZINC000323748891 972714358 /nfs/dbraw/zinc/71/43/58/972714358.db2.gz DCSHRVJCKIKHGU-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000390661336 972826752 /nfs/dbraw/zinc/82/67/52/972826752.db2.gz LUOUMMDHBRJQRQ-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL CN(C)Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000392880120 972857581 /nfs/dbraw/zinc/85/75/81/972857581.db2.gz GDWGMJRDESQHSH-UHFFFAOYSA-N -2 3 403.287 3.554 20 0 HHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410367187 973961690 /nfs/dbraw/zinc/96/16/90/973961690.db2.gz SIDLIYOOFQPJGU-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CCOC(=O)c1cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3F)ccc2s1 ZINC000427302470 975038092 /nfs/dbraw/zinc/03/80/92/975038092.db2.gz QIRBLTHTVMCELE-UHFFFAOYSA-N -2 3 423.443 3.716 20 0 HHADHL COc1cc([N-]S(=O)(=O)c2ccc(OCc3ccccc3)cc2)ccc1C(=O)[O-] ZINC000432779276 978972437 /nfs/dbraw/zinc/97/24/37/978972437.db2.gz HDBUHHJCCSOWCL-UHFFFAOYSA-N -2 3 413.451 3.773 20 0 HHADHL Cc1ccc(-c2cncc(F)c2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000436526532 981418996 /nfs/dbraw/zinc/41/89/96/981418996.db2.gz JJIUFSRGWCXWHF-UHFFFAOYSA-N -2 3 416.430 3.709 20 0 HHADHL CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436551017 981437308 /nfs/dbraw/zinc/43/73/08/981437308.db2.gz VVVJKRMCPULBKC-UHFFFAOYSA-N -2 3 408.907 3.719 20 0 HHADHL Cc1ccc(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)c([O-])c1 ZINC000436563578 981447040 /nfs/dbraw/zinc/44/70/40/981447040.db2.gz MMEONQRZMGJJBW-UHFFFAOYSA-N -2 3 406.460 3.954 20 0 HHADHL C[C@@H]1CC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436581397 981458083 /nfs/dbraw/zinc/45/80/83/981458083.db2.gz AZXDKWJBHKGTFE-BETUJISGSA-N -2 3 408.907 3.859 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CCCCCC1 ZINC000436747503 981543428 /nfs/dbraw/zinc/54/34/28/981543428.db2.gz MWYNKCICHCAFGX-UHFFFAOYSA-N -2 3 408.907 3.863 20 0 HHADHL C[C@@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C(F)(F)F ZINC000436847812 981588375 /nfs/dbraw/zinc/58/83/75/981588375.db2.gz RIPMXLIIAILBKU-SECBINFHSA-N -2 3 422.812 3.527 20 0 HHADHL CCN(CC(F)F)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436950157 981640681 /nfs/dbraw/zinc/64/06/81/981640681.db2.gz YLPQEMBHLDDXPP-UHFFFAOYSA-N -2 3 418.849 3.574 20 0 HHADHL CC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436986285 981668350 /nfs/dbraw/zinc/66/83/50/981668350.db2.gz HAKZSLZBWSYJGW-HNNXBMFYSA-N -2 3 418.515 3.606 20 0 HHADHL CCC[C@@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000461796702 984784362 /nfs/dbraw/zinc/78/43/62/984784362.db2.gz NWHMAJOBNHNATF-UKRRQHHQSA-N -2 3 404.488 3.576 20 0 HHADHL C[C@@H](Nc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O)c1ccccc1 ZINC000443531585 985703018 /nfs/dbraw/zinc/70/30/18/985703018.db2.gz QFTRLWCBQANHNM-CQSZACIVSA-N -2 3 421.478 3.544 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3nn(-c4ccccc4)cc3[O-])c2)n1 ZINC000468615960 986331428 /nfs/dbraw/zinc/33/14/28/986331428.db2.gz VADBFNUPAYAVLU-UHFFFAOYSA-N -2 3 401.426 3.555 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccccc2)c1 ZINC000466345401 991604245 /nfs/dbraw/zinc/60/42/45/991604245.db2.gz ZAUUXRAHVDKVBU-UHFFFAOYSA-N -2 3 410.451 3.746 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCC3)c(F)c2)cc1C(=O)[O-] ZINC000481973000 994865706 /nfs/dbraw/zinc/86/57/06/994865706.db2.gz OHVSDPJAXFEHOF-UHFFFAOYSA-N -2 3 409.435 3.655 20 0 HHADHL Cc1oncc1C(=O)Nc1ccc([O-])c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474440739 995402228 /nfs/dbraw/zinc/40/22/28/995402228.db2.gz ZVSPEUQOEAEVFG-UHFFFAOYSA-N -2 3 405.769 3.691 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1Br ZINC000476250814 996706661 /nfs/dbraw/zinc/70/66/61/996706661.db2.gz OLBCBXWPOYLNIQ-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000476416811 996879770 /nfs/dbraw/zinc/87/97/70/996879770.db2.gz SQZBMVOEBNSWOC-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC000476419736 996884171 /nfs/dbraw/zinc/88/41/71/996884171.db2.gz ABXLKKNPXLLGHF-UHFFFAOYSA-N -2 3 414.277 3.735 20 0 HHADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000484843640 997208948 /nfs/dbraw/zinc/20/89/48/997208948.db2.gz CVRPMLGOFWCEIY-ZDUSSCGKSA-N -2 3 402.299 3.748 20 0 HHADHL O=C([O-])c1ccoc1CSc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000485635639 998080712 /nfs/dbraw/zinc/08/07/12/998080712.db2.gz GBNJIDVKUGJMOG-UHFFFAOYSA-N -2 3 421.438 3.703 20 0 HHADHL O=C([O-])c1ccoc1CSc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000485635639 998080724 /nfs/dbraw/zinc/08/07/24/998080724.db2.gz GBNJIDVKUGJMOG-UHFFFAOYSA-N -2 3 421.438 3.703 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(OC)ccc3Cl)c2)n1 ZINC000487430406 999174184 /nfs/dbraw/zinc/17/41/84/999174184.db2.gz QECZSLUPFCWVNT-UHFFFAOYSA-N -2 3 419.890 3.874 20 0 HHADHL CCCOc1ccc(Br)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504710523 1000336036 /nfs/dbraw/zinc/33/60/36/1000336036.db2.gz CFWMKGUSPYFOHT-QPJJXVBHSA-N -2 3 407.264 3.839 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccsc3)cc2)cc1C ZINC000506601390 1001468325 /nfs/dbraw/zinc/46/83/25/1001468325.db2.gz PVUCFFNPVSRCMF-UHFFFAOYSA-N -2 3 422.553 3.967 20 0 HHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCCCC3)cc2)cc1 ZINC000498416130 1001844722 /nfs/dbraw/zinc/84/47/22/1001844722.db2.gz WPLHLEAVKIVJHR-UHFFFAOYSA-N -2 3 419.499 3.910 20 0 HHADHL CCc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)ccc1F ZINC000507555307 1002161100 /nfs/dbraw/zinc/16/11/00/1002161100.db2.gz XCIVTSCVGJWMTR-UHFFFAOYSA-N -2 3 402.241 3.650 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)cc1C(=O)[O-] ZINC000500365105 1003662631 /nfs/dbraw/zinc/66/26/31/1003662631.db2.gz NZXMMVCZDYFMIH-UHFFFAOYSA-N -2 3 414.439 3.648 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(OC)c(Cl)c2)cc1C(=O)[O-] ZINC000509572996 1003953725 /nfs/dbraw/zinc/95/37/25/1003953725.db2.gz WCONIFVJAUBWBS-UHFFFAOYSA-N -2 3 406.243 3.510 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(OC(F)(F)F)c1 ZINC000514703317 1006088493 /nfs/dbraw/zinc/08/84/93/1006088493.db2.gz JCBVHLOEKNYXAI-UHFFFAOYSA-N -2 3 413.732 3.877 20 0 HHADHL O=C(Nc1ccc(F)cc1[O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000532620972 1007043788 /nfs/dbraw/zinc/04/37/88/1007043788.db2.gz SIDCHIZWDFGYLL-UHFFFAOYSA-N -2 3 422.384 3.863 20 0 HHADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Br)ccc1Cl)CCC(=O)[O-] ZINC000548269335 1010575800 /nfs/dbraw/zinc/57/58/00/1010575800.db2.gz WPWFBJSGWHKMKW-UHFFFAOYSA-N -2 3 412.733 3.662 20 0 HHADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(Cl)c1 ZINC000548588098 1010674339 /nfs/dbraw/zinc/67/43/39/1010674339.db2.gz HMFFNZMVICNYFI-SNVBAGLBSA-N -2 3 400.692 3.813 20 0 HHADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000536196354 1011339570 /nfs/dbraw/zinc/33/95/70/1011339570.db2.gz DWVRLZFKBHMVJQ-UHFFFAOYSA-N -2 3 417.405 3.836 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1F ZINC000541165192 1011833531 /nfs/dbraw/zinc/83/35/31/1011833531.db2.gz QCXZOZITERESQE-UHFFFAOYSA-N -2 3 407.341 3.661 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)o1 ZINC000536899519 1012157089 /nfs/dbraw/zinc/15/70/89/1012157089.db2.gz FGYIKCSZGMIKLP-UHFFFAOYSA-N -2 3 420.512 3.806 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)ccc2C)cc1C(=O)[O-] ZINC000589939734 1073425174 /nfs/dbraw/zinc/42/51/74/1073425174.db2.gz ZGUGSYJHYILVTB-UHFFFAOYSA-N -2 3 412.467 3.955 20 0 HHADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000573777718 1074652560 /nfs/dbraw/zinc/65/25/60/1074652560.db2.gz DGECDFPJOVEICG-VHSXEESVSA-N -2 3 412.733 3.660 20 0 HHADHL O=c1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)[n-]c2ccsc21 ZINC000301606362 970999200 /nfs/dbraw/zinc/99/92/00/970999200.db2.gz RJAQNNDKTKUQTP-UHFFFAOYSA-N -2 3 408.468 3.524 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(=O)[O-])cs3)cc2)cc1 ZINC000542235237 1013191371 /nfs/dbraw/zinc/19/13/71/1013191371.db2.gz TXQAGIGQCOSVRE-UHFFFAOYSA-N -2 3 418.496 3.632 20 0 HHADHL COc1ccc(-c2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2OC)cc1 ZINC000007423351 961175828 /nfs/dbraw/zinc/17/58/28/961175828.db2.gz DYRCUHAZXDGJSO-UHFFFAOYSA-N -2 3 413.451 3.870 20 0 HHADHL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000013264950 962382928 /nfs/dbraw/zinc/38/29/28/962382928.db2.gz LBBDJRXGPCEHGC-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000013360123 962390998 /nfs/dbraw/zinc/39/09/98/962390998.db2.gz VMFAXIJRRXGHOE-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)cc1 ZINC000057723504 965531508 /nfs/dbraw/zinc/53/15/08/965531508.db2.gz IPORLFFLMXTZOJ-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1 ZINC000057748588 965537447 /nfs/dbraw/zinc/53/74/47/965537447.db2.gz BWEYIIWKLMBTCH-UHFFFAOYSA-N -2 3 421.478 3.844 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc1CC(=O)[O-] ZINC000538093246 1013664277 /nfs/dbraw/zinc/66/42/77/1013664277.db2.gz SYLUEOPULQEAFZ-UHFFFAOYSA-N -2 3 407.488 3.548 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000064478389 967205192 /nfs/dbraw/zinc/20/51/92/967205192.db2.gz NFBLCGALBSECJY-UHFFFAOYSA-N -2 3 401.415 3.904 20 0 HHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3cc(-n4cccc4)ccc3F)c1)CCC2 ZINC000110634078 969698660 /nfs/dbraw/zinc/69/86/60/969698660.db2.gz XCBHMTDFQUUIFG-UHFFFAOYSA-N -2 3 400.431 3.604 20 0 HHADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1cccs1 ZINC000317270318 972655098 /nfs/dbraw/zinc/65/50/98/972655098.db2.gz PTWKJXFFOVEMJJ-SNVBAGLBSA-N -2 3 400.692 3.813 20 0 HHADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1Br)C(=O)[O-] ZINC000319304220 972669860 /nfs/dbraw/zinc/66/98/60/972669860.db2.gz GUFCLVIFDAFALV-ZJUUUORDSA-N -2 3 412.733 3.660 20 0 HHADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1F ZINC000323128308 972708433 /nfs/dbraw/zinc/70/84/33/972708433.db2.gz WFIYENBXCDADPQ-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(=O)[O-] ZINC000390197311 972820167 /nfs/dbraw/zinc/82/01/67/972820167.db2.gz UXFUHVWDJCYBPG-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000431146332 978048206 /nfs/dbraw/zinc/04/82/06/978048206.db2.gz NYGKXJYARAJSRD-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL COc1cc([N-]S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c(C(=O)[O-])cc1OC ZINC000432752159 978959220 /nfs/dbraw/zinc/95/92/20/978959220.db2.gz IXWNQGRQIDJPIG-UHFFFAOYSA-N -2 3 423.487 3.643 20 0 HHADHL C[C@@H]1C[C@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436560929 981444860 /nfs/dbraw/zinc/44/48/60/981444860.db2.gz DMPNFPARYJIFKW-OLZOCXBDSA-N -2 3 408.907 3.717 20 0 HHADHL CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436568326 981450278 /nfs/dbraw/zinc/45/02/78/981450278.db2.gz SJBNDQBNYYZOSA-UHFFFAOYSA-N -2 3 408.785 3.688 20 0 HHADHL CC1(C)CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436571824 981451649 /nfs/dbraw/zinc/45/16/49/981451649.db2.gz XBAZKDNLCXBJGO-UHFFFAOYSA-N -2 3 408.907 3.861 20 0 HHADHL O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2[O-])C1)c1ccc(Cl)cc1[O-] ZINC000436576706 981455134 /nfs/dbraw/zinc/45/51/34/981455134.db2.gz QJDGSPNRSIGIOB-LBPRGKRZSA-N -2 3 423.296 3.687 20 0 HHADHL COc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)c([O-])c1 ZINC000436754964 981547099 /nfs/dbraw/zinc/54/70/99/981547099.db2.gz JRBUFLSDZHDGTJ-UHFFFAOYSA-N -2 3 416.430 3.593 20 0 HHADHL O=C(Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)c1ccc([O-])cc1F ZINC000436882984 981600752 /nfs/dbraw/zinc/60/07/52/981600752.db2.gz YSOXRMWFRCOHIG-UHFFFAOYSA-N -2 3 404.394 3.724 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(C)c2)cc1C(=O)[O-] ZINC000438750073 983043377 /nfs/dbraw/zinc/04/33/77/983043377.db2.gz FLXKBCWVTWJFDA-UHFFFAOYSA-N -2 3 403.378 3.912 20 0 HHADHL CC[C@@]1(C)Oc2ccc([N-]S(=O)(=O)c3c(C)cc(C)c(CC(=O)[O-])c3C)cc2O1 ZINC000442831525 985234698 /nfs/dbraw/zinc/23/46/98/985234698.db2.gz ALHPEVVTCHRMBC-NRFANRHFSA-N -2 3 419.499 3.937 20 0 HHADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2cccc(C)c2Br)c1 ZINC000468826976 986536752 /nfs/dbraw/zinc/53/67/52/986536752.db2.gz DWPFYYFIJQAPGG-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)ccc1OC(C)C ZINC000469074597 986786959 /nfs/dbraw/zinc/78/69/59/986786959.db2.gz TVUREUDFZMCJBV-UHFFFAOYSA-N -2 3 405.472 3.631 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc(C(=O)[O-])c1C ZINC000471107296 989208444 /nfs/dbraw/zinc/20/84/44/989208444.db2.gz HBHUUCHAUKASHV-UHFFFAOYSA-N -2 3 403.378 3.744 20 0 HHADHL CCOC(=O)c1oc2ccc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3F)cc2c1C ZINC000473488768 994333236 /nfs/dbraw/zinc/33/32/36/994333236.db2.gz HGIMFKDCENQIKF-UHFFFAOYSA-N -2 3 421.402 3.556 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3ccco3)c(C)c2)cc1C(=O)[O-] ZINC000497563562 1001436921 /nfs/dbraw/zinc/43/69/21/1001436921.db2.gz BJJUETDDZCEYCE-UHFFFAOYSA-N -2 3 414.439 3.648 20 0 HHADHL CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(Cl)c1 ZINC000498033183 1001615029 /nfs/dbraw/zinc/61/50/29/1001615029.db2.gz STLVEJXZDIFTAY-UHFFFAOYSA-N -2 3 416.858 3.564 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N(C)C2CCCCC2)c1 ZINC000502766849 1005207984 /nfs/dbraw/zinc/20/79/84/1005207984.db2.gz VECQYAZQHQVVSI-UHFFFAOYSA-N -2 3 418.515 3.606 20 0 HHADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1sc(C)cc1Br)C(=O)[O-] ZINC000515121089 1006301692 /nfs/dbraw/zinc/30/16/92/1006301692.db2.gz FMUNGMPSLOIHGK-LLVKDONJSA-N -2 3 412.371 3.769 20 0 HHADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000532158888 1006683319 /nfs/dbraw/zinc/68/33/19/1006683319.db2.gz AIHNVFFQXKBZMC-UHFFFAOYSA-N -2 3 409.876 3.555 20 0 HHADHL CSCc1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000517565961 1007773676 /nfs/dbraw/zinc/77/36/76/1007773676.db2.gz FJLJSQNLXAUYAL-UHFFFAOYSA-N -2 3 409.529 3.902 20 0 HHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)c1C ZINC000519217385 1008622413 /nfs/dbraw/zinc/62/24/13/1008622413.db2.gz DXXGFGNZRMXPNC-UHFFFAOYSA-N -2 3 412.467 3.776 20 0 HHADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000543650799 1009255114 /nfs/dbraw/zinc/25/51/14/1009255114.db2.gz DAXHMEAKHGAYDW-GFCCVEGCSA-N -2 3 417.405 3.692 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccccc3-c3ccno3)c2)n1 ZINC000543865349 1009431977 /nfs/dbraw/zinc/43/19/77/1009431977.db2.gz JVMHARXHECWQDG-UHFFFAOYSA-N -2 3 422.466 3.867 20 0 HHADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000544101387 1009712427 /nfs/dbraw/zinc/71/24/27/1009712427.db2.gz 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CCc1nc(C[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)ccc1C(=O)[O-] ZINC000548540130 1010659596 /nfs/dbraw/zinc/65/95/96/1010659596.db2.gz BCGNTJWVZXBRHB-UHFFFAOYSA-N -2 3 423.705 3.781 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000548569395 1010669097 /nfs/dbraw/zinc/66/90/97/1010669097.db2.gz KRNXZTBWOOLRIK-ZYHUDNBSSA-N -2 3 410.355 3.521 20 0 HHADHL CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c2ccccc12 ZINC000548592683 1010675225 /nfs/dbraw/zinc/67/52/25/1010675225.db2.gz PJCWPKJFWFBKTA-UHFFFAOYSA-N -2 3 420.393 3.575 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCCCC[C@@H]2C)c1 ZINC000548605635 1010678773 /nfs/dbraw/zinc/67/87/73/1010678773.db2.gz ZLNREGCYQQMFKT-HNNXBMFYSA-N -2 3 418.515 3.606 20 0 HHADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)(CC(=O)[O-])C1 ZINC000548875921 1010750368 /nfs/dbraw/zinc/75/03/68/1010750368.db2.gz YAIAOHXIFISIOH-MEBBXXQBSA-N -2 3 424.744 3.662 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1C(=O)[O-] ZINC000523124263 1011590541 /nfs/dbraw/zinc/59/05/41/1011590541.db2.gz BSUKNVVWWMXNAK-UHFFFAOYSA-N -2 3 403.378 3.744 20 0 HHADHL Cc1cc2cc([N-]S(=O)(=O)c3ccc(OCCCC(=O)[O-])c(C)c3)ccc2[nH]1 ZINC000523186446 1011671157 /nfs/dbraw/zinc/67/11/57/1011671157.db2.gz GFWZSVBRQWKXQX-UHFFFAOYSA-N -2 3 402.472 3.829 20 0 HHADHL CC(=O)Nc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)ccc1Cl ZINC000541078145 1011718778 /nfs/dbraw/zinc/71/87/78/1011718778.db2.gz IPZXWBBADJEMLX-UHFFFAOYSA-N -2 3 424.906 3.652 20 0 HHADHL O=C([O-])c1cc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)ccc1Cl ZINC000541308039 1012016364 /nfs/dbraw/zinc/01/63/64/1012016364.db2.gz ZBVPPIOSDQJMKG-UHFFFAOYSA-N -2 3 410.810 3.774 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Br)cc(OC(C)C)c2)c1 ZINC000537196708 1012612914 /nfs/dbraw/zinc/61/29/14/1012612914.db2.gz JBYHKPQRIAOSJS-UHFFFAOYSA-N -2 3 416.293 3.751 20 0 HHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488234215 1072143720 /nfs/dbraw/zinc/14/37/20/1072143720.db2.gz NGBMQEMNOUZOLC-MRXNPFEDSA-N -2 3 415.870 3.933 20 0 HHADHL O=C([O-])c1csc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000572223419 1073229288 /nfs/dbraw/zinc/22/92/88/1073229288.db2.gz FLCSTHOVNMQOAS-UHFFFAOYSA-N -2 3 420.443 3.639 20 0 HHADHL CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc(Cl)c1[O-] ZINC000013351896 962389784 /nfs/dbraw/zinc/38/97/84/962389784.db2.gz SBPFMABNFDEHMX-WQLSENKSSA-N -2 3 401.893 3.510 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000538297236 1013832489 /nfs/dbraw/zinc/83/24/89/1013832489.db2.gz ZIQMWGCXFXNFHG-UHFFFAOYSA-N -2 3 413.455 3.846 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)ccc1F ZINC000104885786 969209719 /nfs/dbraw/zinc/20/97/19/969209719.db2.gz VNPZLVQAYZDVEA-UHFFFAOYSA-N -2 3 411.414 3.664 20 0 HHADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1cccs1 ZINC000318752940 972666356 /nfs/dbraw/zinc/66/63/56/972666356.db2.gz BABDRLUVYUFHMI-SNVBAGLBSA-N -2 3 424.725 3.658 20 0 HHADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000320304308 972679811 /nfs/dbraw/zinc/67/98/11/972679811.db2.gz QEBIMRZBPMVHNE-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2Br)CCCCC1 ZINC000323734920 972714275 /nfs/dbraw/zinc/71/42/75/972714275.db2.gz ZTGWRPVEISYIDI-UHFFFAOYSA-N -2 3 424.744 3.806 20 0 HHADHL COc1ccc(Br)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000323892962 972716882 /nfs/dbraw/zinc/71/68/82/972716882.db2.gz GERHHZWPNIUPCT-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000327568820 972760532 /nfs/dbraw/zinc/76/05/32/972760532.db2.gz VRQRMGCRRLFTJI-UHFFFAOYSA-N -2 3 421.272 3.805 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc(C(=O)[O-])c1C ZINC000431205880 978092039 /nfs/dbraw/zinc/09/20/39/978092039.db2.gz JTADWJUTSSZVQB-UHFFFAOYSA-N -3 3 417.361 3.519 20 0 HHADHL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cc1 ZINC000436479134 981394701 /nfs/dbraw/zinc/39/47/01/981394701.db2.gz PFXYHRLAAJBKTR-UHFFFAOYSA-N -2 3 416.421 3.694 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c(OCc2ccccc2)c1 ZINC000438820000 983093903 /nfs/dbraw/zinc/09/39/03/983093903.db2.gz OMVHYLKDHJDYTI-UHFFFAOYSA-N -2 3 415.467 3.789 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1C(=O)[O-] ZINC000440808656 983915653 /nfs/dbraw/zinc/91/56/53/983915653.db2.gz QWEHLWOCBWFFNG-UHFFFAOYSA-N -2 3 412.467 3.722 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1Br ZINC000470439118 988411872 /nfs/dbraw/zinc/41/18/72/988411872.db2.gz TWWAVRZFMOYRTP-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000466343757 991601287 /nfs/dbraw/zinc/60/12/87/991601287.db2.gz OUNKDZDGRQIDAJ-UHFFFAOYSA-N -2 3 401.440 3.804 20 0 HHADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000476261743 996713660 /nfs/dbraw/zinc/71/36/60/996713660.db2.gz QBLWMLKRMOAFDG-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(C)c1C ZINC000484916668 997290807 /nfs/dbraw/zinc/29/08/07/997290807.db2.gz CCLZFTILZCVYPR-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000484925179 997299436 /nfs/dbraw/zinc/29/94/36/997299436.db2.gz JKPHQRAMNXKZNG-UHFFFAOYSA-N -2 3 403.378 3.993 20 0 HHADHL CCc1c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cnn1-c1ccc(Cl)cc1 ZINC000480248727 999755978 /nfs/dbraw/zinc/75/59/78/999755978.db2.gz NXLYOMFTAXGRQZ-UHFFFAOYSA-N -2 3 407.879 3.603 20 0 HHADHL CCn1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1C(=O)[O-] ZINC000491573210 1000084914 /nfs/dbraw/zinc/08/49/14/1000084914.db2.gz QYTKRQFVRDDZAN-UHFFFAOYSA-N -2 3 410.455 3.550 20 0 HHADHL CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000505753884 1001007143 /nfs/dbraw/zinc/00/71/43/1001007143.db2.gz ZUEMOOFIBZTBIE-ZIAGYGMSSA-N -2 3 406.504 3.822 20 0 HHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c(C)c1 ZINC000500315119 1003618899 /nfs/dbraw/zinc/61/88/99/1003618899.db2.gz WZHHUDAKCDOPFG-UHFFFAOYSA-N -2 3 407.488 3.747 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C(C2CC2)C2CC2)c1 ZINC000512675938 1004484512 /nfs/dbraw/zinc/48/45/12/1004484512.db2.gz VSWOIAWMMYPLCT-UHFFFAOYSA-N -2 3 416.499 3.576 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)c(C)c1C(=O)[O-] ZINC000512761524 1004543514 /nfs/dbraw/zinc/54/35/14/1004543514.db2.gz CTLOKEMUOHXOBF-UHFFFAOYSA-N -2 3 419.499 3.608 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)c(C)c1C(=O)[O-] ZINC000512770206 1004549401 /nfs/dbraw/zinc/54/94/01/1004549401.db2.gz BCSGLPBHBKHLAM-UHFFFAOYSA-N -2 3 419.499 3.669 20 0 HHADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)cc2)n1 ZINC000531486647 1006224783 /nfs/dbraw/zinc/22/47/83/1006224783.db2.gz WIXCAZFISHBAEA-UHFFFAOYSA-N -2 3 413.455 3.693 20 0 HHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(OCC(F)(F)F)cc3)c1)CCC2 ZINC000515697937 1006596643 /nfs/dbraw/zinc/59/66/43/1006596643.db2.gz SMNLOSHBLBRUCT-UHFFFAOYSA-N -2 3 415.389 3.615 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Br)ccc2OC(C)C)c1 ZINC000540499284 1008456549 /nfs/dbraw/zinc/45/65/49/1008456549.db2.gz YOKSNSPUVYPQSX-UHFFFAOYSA-N -2 3 416.293 3.751 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000540501315 1008457582 /nfs/dbraw/zinc/45/75/82/1008457582.db2.gz LEKYYYIVFQXOCZ-UHFFFAOYSA-N -2 3 404.469 3.515 20 0 HHADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000547584322 1010355824 /nfs/dbraw/zinc/35/58/24/1010355824.db2.gz BEQNAPUQOOSTNX-UHFFFAOYSA-N -2 3 407.797 3.578 20 0 HHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000547614170 1010364548 /nfs/dbraw/zinc/36/45/48/1010364548.db2.gz GTRSFMXEMXZPMI-OAHLLOKOSA-N -2 3 415.801 3.777 20 0 HHADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000547700950 1010395130 /nfs/dbraw/zinc/39/51/30/1010395130.db2.gz MWGCANDTBDDQJD-ZDUSSCGKSA-N -2 3 402.299 3.605 20 0 HHADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000548198743 1010559766 /nfs/dbraw/zinc/55/97/66/1010559766.db2.gz XZDDMZKWYGUCMA-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000548204215 1010560290 /nfs/dbraw/zinc/56/02/90/1010560290.db2.gz RNIUAFBLPPFWSQ-ZDUSSCGKSA-N -2 3 418.334 3.703 20 0 HHADHL CCc1ncc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)s1 ZINC000548537020 1010658691 /nfs/dbraw/zinc/65/86/91/1010658691.db2.gz FSFJEPJRSOZENH-GFCCVEGCSA-N -2 3 423.343 3.897 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c(C)nn(C(C)C)c3C)c2)n1 ZINC000522358624 1010955161 /nfs/dbraw/zinc/95/51/61/1010955161.db2.gz FVBVEQWLPPFVIK-UHFFFAOYSA-N -2 3 415.519 3.607 20 0 HHADHL CCC[C@@H](C)CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000522775737 1011210264 /nfs/dbraw/zinc/21/02/64/1011210264.db2.gz ICALCSVHAMKSIJ-CQSZACIVSA-N -2 3 406.504 3.966 20 0 HHADHL C[C@@H](C1CC1)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000552110463 1012126548 /nfs/dbraw/zinc/12/65/48/1012126548.db2.gz NXDBARGKBVOUMV-LBPRGKRZSA-N -2 3 408.907 3.717 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(COC(C)C)c2)ccc1OCCCC(=O)[O-] ZINC000523870135 1012567012 /nfs/dbraw/zinc/56/70/12/1012567012.db2.gz SGGUXMLYCOQJCV-UHFFFAOYSA-N -2 3 421.515 3.964 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3nc4ccccc4n3C)c2)c1 ZINC000537197268 1012614658 /nfs/dbraw/zinc/61/46/58/1012614658.db2.gz VHSBEQNGINIBID-UHFFFAOYSA-N -2 3 409.467 3.755 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cs3)c2)cc1C(=O)[O-] ZINC000588077665 1072782654 /nfs/dbraw/zinc/78/26/54/1072782654.db2.gz HBVPKOKOXHQTGR-UHFFFAOYSA-N -2 3 404.469 3.626 20 0 HHADHL CCOCc1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000588077580 1072782801 /nfs/dbraw/zinc/78/28/01/1072782801.db2.gz XYSNHMDKENKQMD-UHFFFAOYSA-N -2 3 407.488 3.576 20 0 HHADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3Sc3ccccc3)ccc21 ZINC000597671138 1075689592 /nfs/dbraw/zinc/68/95/92/1075689592.db2.gz KVXORXPIGSIVGE-UHFFFAOYSA-N -2 3 410.476 3.522 20 0 HHADHL CC[C@@H](C[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br)c1ccccc1 ZINC000761241364 1075718575 /nfs/dbraw/zinc/71/85/75/1075718575.db2.gz BJAVLWZWSXPBAB-JTQLQIEISA-N -2 3 418.334 3.681 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c(Cl)cc1Cl ZINC000013278685 962382703 /nfs/dbraw/zinc/38/27/03/962382703.db2.gz VOEYKBBIQKZBIC-UHFFFAOYSA-N -2 3 424.645 3.875 20 0 HHADHL O=C(Nc1ncccc1[O-])c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000022263925 963620634 /nfs/dbraw/zinc/62/06/34/963620634.db2.gz CZSJQPMPWGSIKI-UHFFFAOYSA-N -2 3 418.478 3.655 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000057497679 965476832 /nfs/dbraw/zinc/47/68/32/965476832.db2.gz IJLBNSKDBUMTMK-UHFFFAOYSA-N -2 3 402.497 3.597 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cnc4ccccc43)cc2)cc1C(=O)[O-] ZINC000057748455 965537096 /nfs/dbraw/zinc/53/70/96/965537096.db2.gz MDFUIWSCWBEVMG-UHFFFAOYSA-N -2 3 407.451 3.833 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)c2)n1 ZINC000055621134 965967578 /nfs/dbraw/zinc/96/75/78/965967578.db2.gz QUSQIPUHBPHSSE-UHFFFAOYSA-N -2 3 407.854 3.593 20 0 HHADHL COc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)c(C(=O)[O-])cc1OC(F)F ZINC000060353882 966105524 /nfs/dbraw/zinc/10/55/24/966105524.db2.gz QZWAWTAYTQKGDJ-UHFFFAOYSA-N -2 3 415.414 3.721 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OC1CCCC1 ZINC000032098526 966194843 /nfs/dbraw/zinc/19/48/43/966194843.db2.gz UTFUYEQMXOFLEG-UHFFFAOYSA-N -2 3 405.472 3.824 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CCC(F)(F)F)cc1CC(=O)[O-] ZINC000538092790 1013664397 /nfs/dbraw/zinc/66/43/97/1013664397.db2.gz DQHKCDWXQVBHCZ-UHFFFAOYSA-N -2 3 417.405 3.618 20 0 HHADHL CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000042792712 966850121 /nfs/dbraw/zinc/85/01/21/966850121.db2.gz GIPONQSGYCXSIA-UHFFFAOYSA-N -2 3 417.270 3.841 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1C ZINC000064478114 967204584 /nfs/dbraw/zinc/20/45/84/967204584.db2.gz ZELZXONYYHIOMS-UHFFFAOYSA-N -2 3 416.524 3.905 20 0 HHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000046056004 967649434 /nfs/dbraw/zinc/64/94/34/967649434.db2.gz CKNCIKSURVHWEW-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1OC(F)F ZINC000542934806 1013769152 /nfs/dbraw/zinc/76/91/52/1013769152.db2.gz VZUOCQOFAKSWER-UHFFFAOYSA-N -2 3 413.442 3.950 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)c[nH]1 ZINC000072071371 968972419 /nfs/dbraw/zinc/97/24/19/968972419.db2.gz VNPGXWNNGVEKMQ-UHFFFAOYSA-N -2 3 416.846 3.710 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)ccc1OCCCC(=O)[O-] ZINC000110277858 969646671 /nfs/dbraw/zinc/64/66/71/969646671.db2.gz TVRPYLNRSDZHMG-UHFFFAOYSA-N -2 3 407.488 3.827 20 0 HHADHL CCCCCC[C@@](C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236704805 970159453 /nfs/dbraw/zinc/15/94/53/970159453.db2.gz HLSVCEREIZTHSF-LJQANCHMSA-N -2 3 423.307 3.834 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@](C)(CC(=O)[O-])C3CCCCC3)c2)n1 ZINC000237111942 970224718 /nfs/dbraw/zinc/22/47/18/970224718.db2.gz QRORNIKFEXKCOF-HSZRJFAPSA-N -2 3 411.502 3.999 20 0 HHADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000319304212 972669767 /nfs/dbraw/zinc/66/97/67/972669767.db2.gz GUFCLVIFDAFALV-NXEZZACHSA-N -2 3 412.733 3.660 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)cc1C(=O)[O-] ZINC000322168221 972697579 /nfs/dbraw/zinc/69/75/79/972697579.db2.gz XBTVZRKXUCAKBZ-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3nc(C)cs3)c(F)c2)c1 ZINC000436474810 981392370 /nfs/dbraw/zinc/39/23/70/981392370.db2.gz FLYBFXPZGAODEE-UHFFFAOYSA-N -2 3 410.448 3.898 20 0 HHADHL Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)c([O-])c1C ZINC000436576870 981455884 /nfs/dbraw/zinc/45/58/84/981455884.db2.gz ROYBYKNNQCVAOB-UHFFFAOYSA-N -2 3 403.485 3.519 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1C[C@@H]2CCC[C@@H]2C1 ZINC000436584442 981459981 /nfs/dbraw/zinc/45/99/81/981459981.db2.gz PVCUGERYGLFOEC-OKILXGFUSA-N -2 3 420.918 3.719 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)ccc1Oc1cccnc1 ZINC000436716157 981528252 /nfs/dbraw/zinc/52/82/52/981528252.db2.gz ZTOCPSLLFPDBQP-UHFFFAOYSA-N -2 3 414.439 3.695 20 0 HHADHL COc1ccc(C(=O)Nc2cc([O-])c(Br)cc2Br)c([O-])c1 ZINC000436913744 981619245 /nfs/dbraw/zinc/61/92/45/981619245.db2.gz JTAMQSMVPFNVST-UHFFFAOYSA-N -2 3 417.053 3.884 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)C(C)C)c1 ZINC000439745224 983523131 /nfs/dbraw/zinc/52/31/31/983523131.db2.gz NBWYKSXDPYQJAF-UHFFFAOYSA-N -2 3 406.504 3.822 20 0 HHADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)cc2)n1 ZINC000441715951 984412636 /nfs/dbraw/zinc/41/26/36/984412636.db2.gz PMKGCTJOTSJBSR-UHFFFAOYSA-N -2 3 413.455 3.693 20 0 HHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1Cl ZINC000442248869 984770527 /nfs/dbraw/zinc/77/05/27/984770527.db2.gz IFDJILHOKYILKS-UHFFFAOYSA-N -2 3 412.197 3.536 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cc1ccccc1 ZINC000462075362 985047525 /nfs/dbraw/zinc/04/75/25/985047525.db2.gz GPFMKBZVCDITAM-UHFFFAOYSA-N -2 3 415.442 3.924 20 0 HHADHL Cc1nc(C=Cc2cc(Cl)ccc2OC[C@H]2CCCO2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443442320 985602476 /nfs/dbraw/zinc/60/24/76/985602476.db2.gz LGJUHWQFNXCJEC-KZJSRBBCSA-N -2 3 418.877 3.889 20 0 HHADHL COC(=O)c1ccccc1-c1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)o1 ZINC000443452368 985620360 /nfs/dbraw/zinc/62/03/60/985620360.db2.gz IVZONSRYMOAAOP-FLIBITNWSA-N -2 3 408.410 3.725 20 0 HHADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)[n-]c(=O)c1CC(=O)[O-] ZINC000470265535 988214989 /nfs/dbraw/zinc/21/49/89/988214989.db2.gz VJIJYWNIYVVFQS-FPLPWBNLSA-N -2 3 413.437 3.536 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCC[C@H]2C)c1 ZINC000470397709 988358048 /nfs/dbraw/zinc/35/80/48/988358048.db2.gz MPDLYAXNJOYIKQ-HUUCEWRRSA-N -2 3 418.515 3.966 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc(C(=O)[O-])c1C ZINC000471132746 989242316 /nfs/dbraw/zinc/24/23/16/989242316.db2.gz YREBKEVUAFZDCN-UHFFFAOYSA-N -2 3 405.863 3.642 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Oc3ncccn3)cc2C)cc(C(=O)[O-])c1C ZINC000471135338 989245695 /nfs/dbraw/zinc/24/56/95/989245695.db2.gz CIWMLQSFDALIHI-UHFFFAOYSA-N -2 3 413.455 3.693 20 0 HHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OCC2CCC2)ccc1[O-] ZINC000466477031 991768891 /nfs/dbraw/zinc/76/88/91/991768891.db2.gz DZZJWRNIRHOXQK-UHFFFAOYSA-N -2 3 424.906 3.984 20 0 HHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2nc(-c3ccccn3)[nH]c2c1 ZINC000484085386 996561524 /nfs/dbraw/zinc/56/15/24/996561524.db2.gz CJRXRUVQWNSVMM-UHFFFAOYSA-N -2 3 422.466 3.686 20 0 HHADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000476421786 996887502 /nfs/dbraw/zinc/88/75/02/996887502.db2.gz HMOMVUQJTAFRGL-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL CCSc1cccc(F)c1[N-]C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000484927058 997302230 /nfs/dbraw/zinc/30/22/30/997302230.db2.gz NGCRJNBZHHGRNQ-UHFFFAOYSA-N -2 3 400.497 3.860 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)ccc1F ZINC000485027059 997391629 /nfs/dbraw/zinc/39/16/29/997391629.db2.gz UFRXIFFZQBAUOW-UHFFFAOYSA-N -2 3 401.843 3.832 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1Br ZINC000488351363 999453052 /nfs/dbraw/zinc/45/30/52/999453052.db2.gz HGBYCHDKFJAMMY-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480210349 999746447 /nfs/dbraw/zinc/74/64/47/999746447.db2.gz SIBWMPJYBMAAMW-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL O=C(NCc1ccc([O-])c(Br)c1)c1ccc(Br)c([O-])c1 ZINC000493910371 1000209132 /nfs/dbraw/zinc/20/91/32/1000209132.db2.gz CUAZATIJFMFVHH-UHFFFAOYSA-N -2 3 401.054 3.553 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)ccc1C(=O)[O-] ZINC000506585365 1001464522 /nfs/dbraw/zinc/46/45/22/1001464522.db2.gz XBIRUSDPYKXMMG-UHFFFAOYSA-N -2 3 403.456 3.926 20 0 HHADHL O=S(=O)([N-]c1cc([O-])c(Br)cc1Br)c1ccsc1 ZINC000507971066 1002502076 /nfs/dbraw/zinc/50/20/76/1002502076.db2.gz QVNAFDPBNVRDOQ-UHFFFAOYSA-N -2 3 413.112 3.780 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)c(C)c1O ZINC000509569977 1003951522 /nfs/dbraw/zinc/95/15/22/1003951522.db2.gz PFQLSEFNWMOQFS-UHFFFAOYSA-N -2 3 413.879 3.707 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)c(C)c1C(=O)[O-] ZINC000512739480 1004530350 /nfs/dbraw/zinc/53/03/50/1004530350.db2.gz UKZUUGBQVJLUHE-UHFFFAOYSA-N -2 3 421.515 3.744 20 0 HHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)cc2)n[nH]1 ZINC000512741930 1004531703 /nfs/dbraw/zinc/53/17/03/1004531703.db2.gz CAYUNZZTGCZUPD-UHFFFAOYSA-N -2 3 401.444 3.626 20 0 HHADHL CCCC[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000503532453 1005445486 /nfs/dbraw/zinc/44/54/86/1005445486.db2.gz AMBMSLCBVQDDHM-AWEZNQCLSA-N -2 3 406.504 3.966 20 0 HHADHL CCC(CC)CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000531835732 1006460002 /nfs/dbraw/zinc/46/00/02/1006460002.db2.gz FZAJCDSJTQOAJR-UHFFFAOYSA-N -2 3 406.504 3.966 20 0 HHADHL O=S(=O)([N-]c1cccc(F)c1)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000515697137 1006595486 /nfs/dbraw/zinc/59/54/86/1006595486.db2.gz OHZZTJBXXUAKLV-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL CC[C@]1(C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000532070690 1006614107 /nfs/dbraw/zinc/61/41/07/1006614107.db2.gz RSHFKMBYFXTVNK-VBKZILBWSA-N -2 3 404.488 3.576 20 0 HHADHL CC[C@@]1(C)C[C@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000532070692 1006614558 /nfs/dbraw/zinc/61/45/58/1006614558.db2.gz RSHFKMBYFXTVNK-XOBRGWDASA-N -2 3 404.488 3.576 20 0 HHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1Cl ZINC000534882686 1006910198 /nfs/dbraw/zinc/91/01/98/1006910198.db2.gz KJHHYRAVBQSGCA-UHFFFAOYSA-N -2 3 408.234 3.949 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C2=C(C)CCC2)c1 ZINC000538878586 1007158045 /nfs/dbraw/zinc/15/80/45/1007158045.db2.gz DSVMPSDTESPKAI-UHFFFAOYSA-N -2 3 402.472 3.641 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1 ZINC000532881353 1007263453 /nfs/dbraw/zinc/26/34/53/1007263453.db2.gz KRJZQLLPVQTGOH-UHFFFAOYSA-N -2 3 403.378 3.830 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c(C)o1 ZINC000539549227 1007861719 /nfs/dbraw/zinc/86/17/19/1007861719.db2.gz HGTPMHQONUBDSZ-UHFFFAOYSA-N -2 3 424.475 3.637 20 0 HHADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC000533965979 1008238648 /nfs/dbraw/zinc/23/86/48/1008238648.db2.gz DMMABQZNDZYJDY-UHFFFAOYSA-N -2 3 404.673 3.586 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000549934716 1009547305 /nfs/dbraw/zinc/54/73/05/1009547305.db2.gz CCZJMHANSAYPHP-UHFFFAOYSA-N -2 3 415.471 3.591 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1Br ZINC000547559531 1010348968 /nfs/dbraw/zinc/34/89/68/1010348968.db2.gz GPOPZCRJOIHTJL-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL CC(C)c1ccc([C@@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000547570805 1010351756 /nfs/dbraw/zinc/35/17/56/1010351756.db2.gz XLZVQPHMIXJUKE-MRXNPFEDSA-N -2 3 401.406 3.722 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000547579426 1010354637 /nfs/dbraw/zinc/35/46/37/1010354637.db2.gz PTQTXAMRTFXKCN-NSHDSACASA-N -2 3 424.725 3.577 20 0 HHADHL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl ZINC000548226171 1010566172 /nfs/dbraw/zinc/56/61/72/1010566172.db2.gz UUKFQMOBPKUXLB-UHFFFAOYSA-N -2 3 424.906 3.711 20 0 HHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000551471141 1010606983 /nfs/dbraw/zinc/60/69/83/1010606983.db2.gz LPNRXOYWVGZQGD-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCCCC[C@H]2C(=O)[O-])s1 ZINC000548569394 1010668872 /nfs/dbraw/zinc/66/88/72/1010668872.db2.gz KRNXZTBWOOLRIK-PWSUYJOCSA-N -2 3 410.355 3.521 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])sc1Br ZINC000548592284 1010674825 /nfs/dbraw/zinc/67/48/25/1010674825.db2.gz QKBCGQIGHXQUHP-GXFFZTMASA-N -2 3 418.334 3.559 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1F ZINC000537196132 1012613292 /nfs/dbraw/zinc/61/32/92/1012613292.db2.gz VGQVAPNINCCPIA-UHFFFAOYSA-N -2 3 411.414 3.664 20 0 HHADHL CCc1ccccc1S(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000488229488 1072149708 /nfs/dbraw/zinc/14/97/08/1072149708.db2.gz HBFCGCIJMXZSMM-UHFFFAOYSA-N -2 3 416.524 3.851 20 0 HHADHL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000588833016 1073317695 /nfs/dbraw/zinc/31/76/95/1073317695.db2.gz CGWAVVOFUIPYKB-OAHLLOKOSA-N -2 3 407.488 3.747 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1Cl ZINC000591683464 1074486821 /nfs/dbraw/zinc/48/68/21/1074486821.db2.gz JURVFSZCSTYEAS-UHFFFAOYSA-N -2 3 423.796 3.802 20 0 HHADHL O=C([N-][N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008512380 961554973 /nfs/dbraw/zinc/55/49/73/961554973.db2.gz JSRSMWJLKWPIGI-UHFFFAOYSA-N -2 3 403.331 3.519 20 0 HHADHL Cc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])nc1 ZINC000010429972 961819990 /nfs/dbraw/zinc/81/99/90/961819990.db2.gz RSPUSWQIKIFAMB-UHFFFAOYSA-N -2 3 417.874 3.802 20 0 HHADHL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000013278653 962382756 /nfs/dbraw/zinc/38/27/56/962382756.db2.gz IQFACOWPHUNCDK-UHFFFAOYSA-N -2 3 415.423 3.692 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2)cc1 ZINC000053490796 965195743 /nfs/dbraw/zinc/19/57/43/965195743.db2.gz KQFJJXGAUUMZLV-UHFFFAOYSA-N -2 3 404.488 3.625 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C2SCCS2)c1 ZINC000031667316 966079442 /nfs/dbraw/zinc/07/94/42/966079442.db2.gz FNKDGQFLBGBOHT-UHFFFAOYSA-N -2 3 411.526 3.678 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)cc1C(=O)[O-] ZINC000060705983 966263503 /nfs/dbraw/zinc/26/35/03/966263503.db2.gz AOLUJPCBVRMVHR-UHFFFAOYSA-N -2 3 403.428 3.899 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)ccc1OCC(=O)[O-] ZINC000063476419 966871253 /nfs/dbraw/zinc/87/12/53/966871253.db2.gz AFVIOAZPSSUTIT-UHFFFAOYSA-N -2 3 409.463 3.830 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H](C)C2CC2)c1 ZINC000063684094 966927934 /nfs/dbraw/zinc/92/79/34/966927934.db2.gz GVNGUVRIFCIAAB-ZDUSSCGKSA-N -2 3 404.488 3.576 20 0 HHADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)c1 ZINC000064478106 967204367 /nfs/dbraw/zinc/20/43/67/967204367.db2.gz VLQKGDXYVWZZKO-UHFFFAOYSA-N -2 3 416.524 3.905 20 0 HHADHL CCc1cc(=O)[n-]c(SCc2ccc(CSc3nc(CC)cc(=O)[n-]3)cc2)n1 ZINC000111895656 969812300 /nfs/dbraw/zinc/81/23/00/969812300.db2.gz CAJWHPBMMUJFMS-UHFFFAOYSA-N -2 3 414.556 3.563 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Br)c2)cc1C(=O)[O-] ZINC000321598040 972693364 /nfs/dbraw/zinc/69/33/64/972693364.db2.gz VEIXBLACUGKTCF-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c(Br)c1 ZINC000389205440 972810716 /nfs/dbraw/zinc/81/07/16/972810716.db2.gz ZPUKPVYESKUKTE-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000390703607 972827311 /nfs/dbraw/zinc/82/73/11/972827311.db2.gz FOKYTOUOWOYFIG-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1F ZINC000410420825 974018469 /nfs/dbraw/zinc/01/84/69/974018469.db2.gz TWYWOTYTNAAQNN-UHFFFAOYSA-N -2 3 412.197 3.536 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cnc4ccccc4c3)c2)n1 ZINC000430982600 977927816 /nfs/dbraw/zinc/92/78/16/977927816.db2.gz SKAGTIFGFQYMBH-UHFFFAOYSA-N -2 3 406.467 3.761 20 0 HHADHL CCCc1c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cnn1-c1ccccc1C ZINC000432044924 978659691 /nfs/dbraw/zinc/65/96/91/978659691.db2.gz BRUGFKVFBIIVMO-UHFFFAOYSA-N -2 3 401.488 3.648 20 0 HHADHL Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1F ZINC000432649227 978925552 /nfs/dbraw/zinc/92/55/52/978925552.db2.gz NHPZDHRQKRYRNM-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)cc1F ZINC000433596811 979413565 /nfs/dbraw/zinc/41/35/65/979413565.db2.gz ZOVFBECGQPLYMW-UHFFFAOYSA-N -2 3 420.487 3.665 20 0 HHADHL C[C@@H]1C[C@H](C)CN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436560931 981444573 /nfs/dbraw/zinc/44/45/73/981444573.db2.gz DMPNFPARYJIFKW-QWHCGFSZSA-N -2 3 408.907 3.717 20 0 HHADHL C[C@@H]1C[C@@H](C)N(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436560927 981444699 /nfs/dbraw/zinc/44/46/99/981444699.db2.gz DMPNFPARYJIFKW-CHWSQXEVSA-N -2 3 408.907 3.717 20 0 HHADHL CCCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436668287 981501312 /nfs/dbraw/zinc/50/13/12/981501312.db2.gz XIAFQNOHDIGBFX-OAHLLOKOSA-N -2 3 420.531 3.852 20 0 HHADHL CCOc1cc(-c2noc(-c3ccc(OC)cc3[O-])n2)cc(Br)c1[O-] ZINC000436895627 981604464 /nfs/dbraw/zinc/60/44/64/981604464.db2.gz YBFYTPNNXSZTOW-UHFFFAOYSA-N -2 3 407.220 3.985 20 0 HHADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000438803528 983080801 /nfs/dbraw/zinc/08/08/01/983080801.db2.gz YQBNPHLHSGIQMP-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440291357 983708713 /nfs/dbraw/zinc/70/87/13/983708713.db2.gz KZPCSDOOICGQFZ-UHFFFAOYSA-N -2 3 424.931 3.974 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)c2ccccc12 ZINC000463381807 986348961 /nfs/dbraw/zinc/34/89/61/986348961.db2.gz PKZBIUPFMHETPG-UHFFFAOYSA-N -2 3 401.440 3.532 20 0 HHADHL COc1cc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)ccc1OC(C)C ZINC000463803332 986794902 /nfs/dbraw/zinc/79/49/02/986794902.db2.gz WGUYEWYVFWVXPP-UHFFFAOYSA-N -2 3 421.515 3.836 20 0 HHADHL Cc1nn(Cc2ccccc2Cl)c(C)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000470263314 988210861 /nfs/dbraw/zinc/21/08/61/988210861.db2.gz IOBCBDSHKWVGBP-CMDGGOBGSA-N -2 3 412.877 3.803 20 0 HHADHL CC(=O)N(Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1)C(C)C ZINC000471115560 989218837 /nfs/dbraw/zinc/21/88/37/989218837.db2.gz IZJTZAIMZVSOKX-UHFFFAOYSA-N -2 3 418.515 3.559 20 0 HHADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3cc(C)c(C)c(C(=O)[O-])c3)cc2)n1 ZINC000471117087 989221081 /nfs/dbraw/zinc/22/10/81/989221081.db2.gz RUMJQTBNVIOOIJ-UHFFFAOYSA-N -2 3 413.455 3.693 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(NC(=O)c2cccs2)c1 ZINC000466342217 991599272 /nfs/dbraw/zinc/59/92/72/991599272.db2.gz CJMXQQSRNKHPPL-UHFFFAOYSA-N -2 3 416.480 3.808 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2C)cc1C(=O)[O-] ZINC000467744439 992992404 /nfs/dbraw/zinc/99/24/04/992992404.db2.gz AEUHHKXFQMAQHI-UHFFFAOYSA-N -2 3 403.378 3.912 20 0 HHADHL CCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000481591861 994437730 /nfs/dbraw/zinc/43/77/30/994437730.db2.gz MNMABWIMUFJGPB-UHFFFAOYSA-N -2 3 418.393 3.569 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2C[C@@]2(C)C(C)C)c1 ZINC000481690163 994549800 /nfs/dbraw/zinc/54/98/00/994549800.db2.gz DJGNMOHNMXRFBN-VFNWGFHPSA-N -2 3 418.515 3.822 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1Br ZINC000476245177 996703194 /nfs/dbraw/zinc/70/31/94/996703194.db2.gz FPNGWFAZDYRAOI-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000484856654 997220393 /nfs/dbraw/zinc/22/03/93/997220393.db2.gz FKMWRQCRDLKYCL-MRXNPFEDSA-N -2 3 405.447 3.635 20 0 HHADHL Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000479446303 999421414 /nfs/dbraw/zinc/42/14/14/999421414.db2.gz AHPCTVPBXHBQOB-UHFFFAOYSA-N -2 3 405.806 3.791 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1C(=O)[O-] ZINC000479463214 999428733 /nfs/dbraw/zinc/42/87/33/999428733.db2.gz AQQRMDVYRMASOY-UHFFFAOYSA-N -2 3 423.462 3.842 20 0 HHADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000507892340 1002425738 /nfs/dbraw/zinc/42/57/38/1002425738.db2.gz VXZNCCFNMPYLJM-UHFFFAOYSA-N -2 3 416.524 3.834 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1Br ZINC000507921272 1002455341 /nfs/dbraw/zinc/45/53/41/1002455341.db2.gz PUTZRWKODINHIV-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)c2)cn1 ZINC000509391090 1003820506 /nfs/dbraw/zinc/82/05/06/1003820506.db2.gz YCUBMAURRDQJQK-UHFFFAOYSA-N -2 3 412.467 3.873 20 0 HHADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(Cl)c1 ZINC000509629995 1003991917 /nfs/dbraw/zinc/99/19/17/1003991917.db2.gz ZUAVEJDQUFALEI-UHFFFAOYSA-N -2 3 401.843 3.832 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)c(C)c1C(=O)[O-] ZINC000512727847 1004521512 /nfs/dbraw/zinc/52/15/12/1004521512.db2.gz BFYRCCUUJUTLBF-HHHXNRCGSA-N -2 3 423.556 3.850 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3nccs3)c2)cc1C(=O)[O-] ZINC000514683106 1006077463 /nfs/dbraw/zinc/07/74/63/1006077463.db2.gz ZWQMZNFWTJIIAP-UHFFFAOYSA-N -2 3 404.469 3.708 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3ncco3)ccc2C)cc1C(=O)[O-] ZINC000534687147 1006668869 /nfs/dbraw/zinc/66/88/69/1006668869.db2.gz VBMYRPXVAQRDQW-UHFFFAOYSA-N -2 3 402.428 3.548 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N(CC(C)C)C(C)C)c1 ZINC000538741260 1007025727 /nfs/dbraw/zinc/02/57/27/1007025727.db2.gz LTJSYNXMZRGFFU-UHFFFAOYSA-N -2 3 420.531 3.708 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)c1 ZINC000539400270 1007708405 /nfs/dbraw/zinc/70/84/05/1007708405.db2.gz ATXJEUPQVORKRW-MHZLTWQESA-N -2 3 423.556 3.783 20 0 HHADHL CCOCCOc1ccc(S(=O)(=O)[N-]c2c(C(=O)[O-])cccc2C(C)C)cc1 ZINC000517980717 1008084603 /nfs/dbraw/zinc/08/46/03/1008084603.db2.gz UUFBCTQOEWTGEN-UHFFFAOYSA-N -2 3 407.488 3.724 20 0 HHADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)on1 ZINC000545558338 1008654916 /nfs/dbraw/zinc/65/49/16/1008654916.db2.gz WTTSSRCZWSIABT-UHFFFAOYSA-N -2 3 420.409 3.774 20 0 HHADHL Cc1ccn(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(Cl)c3C)cc2)n1 ZINC000551084652 1010355135 /nfs/dbraw/zinc/35/51/35/1010355135.db2.gz BYAPZJWEVRBFFF-UHFFFAOYSA-N -2 3 405.863 3.642 20 0 HHADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)c1 ZINC000547586942 1010356134 /nfs/dbraw/zinc/35/61/34/1010356134.db2.gz DUVANKDFQALXLA-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551245096 1010462091 /nfs/dbraw/zinc/46/20/91/1010462091.db2.gz RVPXFTVHSYSOQL-VIFPVBQESA-N -2 3 412.733 3.660 20 0 HHADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1c(Cl)cccc1Cl ZINC000547933348 1010472772 /nfs/dbraw/zinc/47/27/72/1010472772.db2.gz VFLYALDDQGMWQN-ZDUSSCGKSA-N -2 3 414.188 3.515 20 0 HHADHL Cc1cccc([C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C(=O)[O-])c1 ZINC000548199370 1010559693 /nfs/dbraw/zinc/55/96/93/1010559693.db2.gz LTUWPZDGARWBBA-LLVKDONJSA-N -2 3 424.725 3.577 20 0 HHADHL CCc1ncc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)s1 ZINC000548537021 1010659021 /nfs/dbraw/zinc/65/90/21/1010659021.db2.gz FSFJEPJRSOZENH-LBPRGKRZSA-N -2 3 423.343 3.897 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1Cl ZINC000548545766 1010660401 /nfs/dbraw/zinc/66/04/01/1010660401.db2.gz SEYQUENXQXAFMN-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(=O)[O-] ZINC000548591176 1010674168 /nfs/dbraw/zinc/67/41/68/1010674168.db2.gz FSFKNPNFXWVLEG-ZJUUUORDSA-N -2 3 412.733 3.660 20 0 HHADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(Cl)c1 ZINC000548588097 1010674289 /nfs/dbraw/zinc/67/42/89/1010674289.db2.gz HMFFNZMVICNYFI-JTQLQIEISA-N -2 3 400.692 3.813 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)ccc1OCCCC(=O)[O-] ZINC000548925246 1010763141 /nfs/dbraw/zinc/76/31/41/1010763141.db2.gz BUFJYKGUWUMSIM-UHFFFAOYSA-N -2 3 403.500 3.918 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2OCC(F)(F)F)c1 ZINC000537196030 1012612383 /nfs/dbraw/zinc/61/23/83/1012612383.db2.gz NCOVBEVDEBAWEV-UHFFFAOYSA-N -2 3 411.785 3.796 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1CC(=O)[O-] ZINC000552826604 1012837113 /nfs/dbraw/zinc/83/71/13/1012837113.db2.gz BMPCWRIVVUFLLN-UHFFFAOYSA-N -2 3 416.499 3.734 20 0 HHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CCSc1ccccc1)C(=O)[O-] ZINC000555129296 1073180372 /nfs/dbraw/zinc/18/03/72/1073180372.db2.gz NYTYVKLDKDRUDQ-MRXNPFEDSA-N -2 3 423.487 3.794 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)ccc1F ZINC000591795795 1074544972 /nfs/dbraw/zinc/54/49/72/1074544972.db2.gz JLTRBNWCJCTEEV-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000761233289 1075685743 /nfs/dbraw/zinc/68/57/43/1075685743.db2.gz CHURGSNGNBTXRW-JTQLQIEISA-N -2 3 418.334 3.508 20 0 HHADHL CC(C)Sc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000597678932 1075690830 /nfs/dbraw/zinc/69/08/30/1075690830.db2.gz LMRGYZLZAMJZCV-UHFFFAOYSA-N -2 3 410.904 3.525 20 0 HHADHL Cc1cc(C)cc([C@H](NC(=O)Nc2ccc(-c3cc(=O)[n-]c(C)n3)cc2)C(=O)[O-])c1 ZINC000581048864 939775695 /nfs/dbraw/zinc/77/56/95/939775695.db2.gz LNIKULVALAOMNC-FQEVSTJZSA-N -2 3 406.442 3.722 20 0 HHADHL COc1ccc([O-])c(C(=O)Nc2ccc(F)c([N-]S(=O)(=O)c3cccs3)c2)c1 ZINC000537641075 1013199292 /nfs/dbraw/zinc/19/92/92/1013199292.db2.gz IVHDDKICVUKOLQ-UHFFFAOYSA-N -2 3 422.459 3.655 20 0 HHADHL CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cc2)CC1 ZINC000013183543 962373455 /nfs/dbraw/zinc/37/34/55/962373455.db2.gz YPVGXZQVZPOOTM-UHFFFAOYSA-N -2 3 402.516 3.741 20 0 HHADHL COc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc(Br)c1[O-] ZINC000013357593 962389708 /nfs/dbraw/zinc/38/97/08/962389708.db2.gz SESQUWSECIYAOM-AATRIKPKSA-N -2 3 407.216 3.523 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2)cc1C ZINC000016480422 963052024 /nfs/dbraw/zinc/05/20/24/963052024.db2.gz OJPIFVMDMDGBOJ-UHFFFAOYSA-N -2 3 418.515 3.934 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2sccc2C)c1 ZINC000028846687 965200221 /nfs/dbraw/zinc/20/02/21/965200221.db2.gz AJRLCKJPPREEFO-UHFFFAOYSA-N -2 3 418.496 3.824 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc(Cl)c1Cl ZINC000058488376 965751741 /nfs/dbraw/zinc/75/17/41/965751741.db2.gz TZZOOIHFDZGHJB-UHFFFAOYSA-N -2 3 400.161 3.910 20 0 HHADHL CSc1nc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)cc2s1 ZINC000031666289 966079805 /nfs/dbraw/zinc/07/98/05/966079805.db2.gz ZVYXYRUPMKOEJE-UHFFFAOYSA-N -2 3 410.498 3.531 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)cc2)cc1C(=O)[O-] ZINC000042122943 966724793 /nfs/dbraw/zinc/72/47/93/966724793.db2.gz PSKOEPOAYTVVQE-UHFFFAOYSA-N -2 3 413.451 3.773 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000064478068 967204301 /nfs/dbraw/zinc/20/43/01/967204301.db2.gz AZGVBGZOUNJGAL-UHFFFAOYSA-N -2 3 416.524 3.851 20 0 HHADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3F)cc2)c1 ZINC000064478399 967205452 /nfs/dbraw/zinc/20/54/52/967205452.db2.gz FIVZHQHZSWYDFY-UHFFFAOYSA-N -2 3 401.415 3.904 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(ccn3CC(C)C)c2)cc1C(=O)[O-] ZINC000065069731 967364180 /nfs/dbraw/zinc/36/41/80/967364180.db2.gz OJJKXIMUOPWVBN-UHFFFAOYSA-N -2 3 402.472 3.805 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OC(F)(F)F)c2)c(C)c1CC(=O)[O-] ZINC000542938104 1013772012 /nfs/dbraw/zinc/77/20/12/1013772012.db2.gz JOXWUUDFQJXAHG-UHFFFAOYSA-N -2 3 417.405 3.938 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(NC(=O)C(C)C)c2)c(C)c1CC(=O)[O-] ZINC000542939047 1013772770 /nfs/dbraw/zinc/77/27/70/1013772770.db2.gz ZNKGFRZEIJAKEK-UHFFFAOYSA-N -2 3 418.515 3.634 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCC3CC3)c2)c(C)c1CC(=O)[O-] ZINC000542939048 1013772833 /nfs/dbraw/zinc/77/28/33/1013772833.db2.gz ZNMQNMZZYSBRHF-UHFFFAOYSA-N -2 3 417.527 3.966 20 0 HHADHL COc1cc(/C=C2/CCc3oc(C(=O)[O-])c(C)c3C2=O)cc(Br)c1[O-] ZINC000141558064 970120698 /nfs/dbraw/zinc/12/06/98/970120698.db2.gz XGMHVZNNJDSIGK-YHYXMXQVSA-N -2 3 407.216 3.975 20 0 HHADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1cccc(Cl)c1 ZINC000237043122 970213525 /nfs/dbraw/zinc/21/35/25/970213525.db2.gz XPDLSAFAJBALGH-SNVBAGLBSA-N -2 3 422.684 3.823 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c(Br)c1 ZINC000315335327 972643489 /nfs/dbraw/zinc/64/34/89/972643489.db2.gz DXGYPHSJARQODQ-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2F)cc1 ZINC000325976761 972737779 /nfs/dbraw/zinc/73/77/79/972737779.db2.gz YXVIKYRDHPYVMD-UHFFFAOYSA-N -2 3 420.231 3.545 20 0 HHADHL O=C(NC1CCN(C(=O)c2ccccc2[O-])CC1)c1cc(Cl)c2ccccc2c1[O-] ZINC000436544287 981432694 /nfs/dbraw/zinc/43/26/94/981432694.db2.gz IRMOHDPDRJFZPC-UHFFFAOYSA-N -2 3 424.884 3.939 20 0 HHADHL CC[C@H](C)CN(CC)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436555051 981440131 /nfs/dbraw/zinc/44/01/31/981440131.db2.gz IEBQGVHNTYCNRE-HNNXBMFYSA-N -2 3 420.531 3.710 20 0 HHADHL CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-])C1CCCC1 ZINC000436556754 981441633 /nfs/dbraw/zinc/44/16/33/981441633.db2.gz PNRGTEXCAAIBGE-UHFFFAOYSA-N -2 3 418.515 3.606 20 0 HHADHL C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[O-])[C@@H](C)CN1C(=O)c1ccc(Cl)cc1[O-] ZINC000436604230 981469684 /nfs/dbraw/zinc/46/96/84/981469684.db2.gz NJZVSSSWEJIXEU-TXEJJXNPSA-N -2 3 423.296 3.780 20 0 HHADHL CC[C@H]1CC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436749497 981544620 /nfs/dbraw/zinc/54/46/20/981544620.db2.gz YSCFCUUDYGNGLC-GJZGRUSLSA-N -2 3 418.515 3.605 20 0 HHADHL C[C@H]1C[C@H](C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436801929 981568726 /nfs/dbraw/zinc/56/87/26/981568726.db2.gz XGBRMRLVEKZNMS-KBPBESRZSA-N -2 3 422.934 3.965 20 0 HHADHL COc1ccccc1-c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000436854964 981592761 /nfs/dbraw/zinc/59/27/61/981592761.db2.gz HZJHQMYTHGAMAL-UHFFFAOYSA-N -2 3 413.451 3.875 20 0 HHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccnc2-c2ccc(C)s2)ccc1[O-] ZINC000437656685 982274395 /nfs/dbraw/zinc/27/43/95/982274395.db2.gz PDDKHWRJPWJHHX-UHFFFAOYSA-N -2 3 403.485 3.583 20 0 HHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)cc2)n1 ZINC000461338933 983027068 /nfs/dbraw/zinc/02/70/68/983027068.db2.gz MUOPKOAZORMNJT-UHFFFAOYSA-N -2 3 415.418 3.626 20 0 HHADHL O=C([O-])c1cc(OC2CCCCC2)c(F)cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000438773900 983062820 /nfs/dbraw/zinc/06/28/20/983062820.db2.gz NGGXCZLJRHIWTP-CQSZACIVSA-N -2 3 415.483 3.546 20 0 HHADHL O=C(CCCc1ccc([O-])c(F)c1)N=c1nc(Cc2ccc(F)cc2F)[n-]s1 ZINC000471293034 989452303 /nfs/dbraw/zinc/45/23/03/989452303.db2.gz RFYDCZBUXAERNG-UHFFFAOYSA-N -2 3 407.417 3.635 20 0 HHADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000476255136 996709818 /nfs/dbraw/zinc/70/98/18/996709818.db2.gz TYQKKIBSHYKPJM-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C(F)(F)F)c3)ccc2O1 ZINC000484943664 997320624 /nfs/dbraw/zinc/32/06/24/997320624.db2.gz HDBDDDLWZTUXFM-SECBINFHSA-N -2 3 401.362 3.528 20 0 HHADHL O=S(=O)([N-]c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000485041877 997406946 /nfs/dbraw/zinc/40/69/46/997406946.db2.gz JNFDXKMXJRMTGQ-UHFFFAOYSA-N -2 3 404.666 3.628 20 0 HHADHL COc1cccc(-c2nn(C(C)(C)C)cc2C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1 ZINC000504720350 1000340573 /nfs/dbraw/zinc/34/05/73/1000340573.db2.gz HZSIYLHAJGNDFN-KTKRTIGZSA-N -2 3 422.485 3.915 20 0 HHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cc1 ZINC000507009348 1001762042 /nfs/dbraw/zinc/76/20/42/1001762042.db2.gz ZPRMUTAIYPHYRQ-UHFFFAOYSA-N -2 3 414.277 3.737 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1Cl ZINC000509621970 1003987554 /nfs/dbraw/zinc/98/75/54/1003987554.db2.gz RXNYDUOFGJKMOT-UHFFFAOYSA-N -2 3 423.796 3.802 20 0 HHADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000512766495 1004547350 /nfs/dbraw/zinc/54/73/50/1004547350.db2.gz JBYNJIXWTCXHDD-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000511686688 1005276592 /nfs/dbraw/zinc/27/65/92/1005276592.db2.gz IJWLTMXPWUVORJ-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=S(=O)([N-]c1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000511688513 1005277371 /nfs/dbraw/zinc/27/73/71/1005277371.db2.gz RZDYUOOZQXCSEJ-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)c1 ZINC000531527633 1006255667 /nfs/dbraw/zinc/25/56/67/1006255667.db2.gz WYZUBHVSOYHCCB-UHFFFAOYSA-N -2 3 417.842 3.532 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000532709411 1007122912 /nfs/dbraw/zinc/12/29/12/1007122912.db2.gz VKYBKXIKKRGHQP-UHFFFAOYSA-N -2 3 403.378 3.912 20 0 HHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000532843884 1007228953 /nfs/dbraw/zinc/22/89/53/1007228953.db2.gz BWCQAGUTDZUMFS-UHFFFAOYSA-N -2 3 403.378 3.992 20 0 HHADHL CCCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c(C)c1 ZINC000539238034 1007530741 /nfs/dbraw/zinc/53/07/41/1007530741.db2.gz IIJLSTBULXVPTL-UHFFFAOYSA-N -2 3 407.488 3.610 20 0 HHADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548591173 1010674414 /nfs/dbraw/zinc/67/44/14/1010674414.db2.gz FSFKNPNFXWVLEG-UWVGGRQHSA-N -2 3 412.733 3.660 20 0 HHADHL CC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c1[O-] ZINC000552069925 1012086654 /nfs/dbraw/zinc/08/66/54/1012086654.db2.gz RNHHMLIIQQSIJG-UHFFFAOYSA-N -2 3 405.332 3.757 20 0 HHADHL CC(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000541796184 1012670583 /nfs/dbraw/zinc/67/05/83/1012670583.db2.gz SLGMDNUDDKDTMK-UHFFFAOYSA-N -2 3 416.499 3.625 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccncc3)cc2)cc1C(=O)[O-] ZINC000524102688 1012878447 /nfs/dbraw/zinc/87/84/47/1012878447.db2.gz NPCRPKYEJSHIPI-UHFFFAOYSA-N -2 3 414.439 3.772 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC(C)(C)O3)c(C)c1CC(=O)[O-] ZINC000542007723 1012889188 /nfs/dbraw/zinc/88/91/88/1012889188.db2.gz REAXAOJYRRQIGJ-UHFFFAOYSA-N -2 3 405.472 3.547 20 0 HHADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)cc2F)n1 ZINC000614857596 1071781732 /nfs/dbraw/zinc/78/17/32/1071781732.db2.gz MNZKCDKIPKDMAQ-UHFFFAOYSA-N -2 3 417.462 3.744 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)OC(C)(C)C)cc2)cc1C(=O)[O-] ZINC000729666748 1071782311 /nfs/dbraw/zinc/78/23/11/1071782311.db2.gz YOUKVHBMUZRDLX-UHFFFAOYSA-N -2 3 422.459 3.541 20 0 HHADHL O=C([O-])[C@H](CCSc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000555128424 1073179020 /nfs/dbraw/zinc/17/90/20/1073179020.db2.gz FYIJUBRZYHJSLX-AWEZNQCLSA-N -2 3 420.339 3.907 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cc(F)c(F)cc3F)c2)n1 ZINC000591797114 1074545686 /nfs/dbraw/zinc/54/56/86/1074545686.db2.gz RLVTVDWDZCARCF-UHFFFAOYSA-N -2 3 409.389 3.630 20 0 HHADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000573777715 1074652554 /nfs/dbraw/zinc/65/25/54/1074652554.db2.gz DGECDFPJOVEICG-NXEZZACHSA-N -2 3 412.733 3.660 20 0 HHADHL Cc1ccnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])c1 ZINC000010430694 961821206 /nfs/dbraw/zinc/82/12/06/961821206.db2.gz DRSITRULPBATQR-UHFFFAOYSA-N -2 3 417.874 3.802 20 0 HHADHL O=S(=O)([N-]c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccccc1 ZINC000020834353 963398124 /nfs/dbraw/zinc/39/81/24/963398124.db2.gz WSTMKHPUXOIILE-UHFFFAOYSA-N -2 3 422.915 3.942 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000058519113 965766403 /nfs/dbraw/zinc/76/64/03/965766403.db2.gz OPBRCCSSISJDBH-UHFFFAOYSA-N -2 3 403.378 3.744 20 0 HHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCC(F)(F)F)cc1 ZINC000058518918 965766722 /nfs/dbraw/zinc/76/67/22/965766722.db2.gz JTDGLVYVKFAJIL-UHFFFAOYSA-N -2 3 403.378 3.689 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(Br)cc2C)cc1C(=O)[O-] ZINC000047949125 968375327 /nfs/dbraw/zinc/37/53/27/968375327.db2.gz ZFYSDBRUSYHYML-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2C(=O)Nc2ccc(F)cc2)c1 ZINC000538296521 1013831789 /nfs/dbraw/zinc/83/17/89/1013831789.db2.gz NOHFJDHIRRVMAY-UHFFFAOYSA-N -2 3 416.430 3.593 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c(Br)c1 ZINC000097212190 969102778 /nfs/dbraw/zinc/10/27/78/969102778.db2.gz DJVKPOTXFGGPFX-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)cc1 ZINC000110204816 969636833 /nfs/dbraw/zinc/63/68/33/969636833.db2.gz ICOPEWCOIYMIHQ-UHFFFAOYSA-N -2 3 411.451 3.657 20 0 HHADHL CCCCCC[C@](C)(NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(=O)[O-] ZINC000236734142 970165204 /nfs/dbraw/zinc/16/52/04/970165204.db2.gz HLSVCEREIZTHSF-IBGZPJMESA-N -2 3 423.307 3.834 20 0 HHADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)c1 ZINC000317686895 972657784 /nfs/dbraw/zinc/65/77/84/972657784.db2.gz BCAGQOQAUMPUQC-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(F)cc1Br ZINC000323585021 972712691 /nfs/dbraw/zinc/71/26/91/972712691.db2.gz CIBLKDXNOSXNGM-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccc(F)cc1 ZINC000324941126 972726940 /nfs/dbraw/zinc/72/69/40/972726940.db2.gz XKFPQBMSRTUBCI-ZDUSSCGKSA-N -2 3 420.256 3.555 20 0 HHADHL COc1cc(S(=O)(=O)[N-]c2cc(C(C)=O)ccc2Cl)c(Cl)cc1C(=O)[O-] ZINC000432055146 978662915 /nfs/dbraw/zinc/66/29/15/978662915.db2.gz PGEFZKSFKCIYSR-UHFFFAOYSA-N -2 3 418.254 3.704 20 0 HHADHL CC[C@H](C)CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436519714 981414362 /nfs/dbraw/zinc/41/43/62/981414362.db2.gz AGZYJYKZGWZARS-ZDUSSCGKSA-N -2 3 410.923 3.965 20 0 HHADHL CC[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436550453 981436306 /nfs/dbraw/zinc/43/63/06/981436306.db2.gz IIJGXNKZTBWVCX-OAHLLOKOSA-N -2 3 408.907 3.861 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CCC12CCC2 ZINC000436571026 981450908 /nfs/dbraw/zinc/45/09/08/981450908.db2.gz BLQBEICFXYPAKX-UHFFFAOYSA-N -2 3 406.891 3.615 20 0 HHADHL CN(CCCCNC(=O)c1cc(Cl)ccc1[O-])C(=O)c1cc(Cl)ccc1[O-] ZINC000436609679 981472999 /nfs/dbraw/zinc/47/29/99/981472999.db2.gz WRKURFLXMUAEDZ-UHFFFAOYSA-N -2 3 411.285 3.687 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cc(NC(=O)C(=O)c3ccc([O-])cc3)ccc2C)c1 ZINC000436659502 981495964 /nfs/dbraw/zinc/49/59/64/981495964.db2.gz PGRCIFUPAFRUPN-UHFFFAOYSA-N -2 3 424.478 3.631 20 0 HHADHL CC(=O)c1ccc([O-])c(NC(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000436681847 981509715 /nfs/dbraw/zinc/50/97/15/981509715.db2.gz SQDWGFRMRQMVRE-HXUWFJFHSA-N -2 3 418.449 3.697 20 0 HHADHL COC(C)(C)c1noc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000436896023 981605188 /nfs/dbraw/zinc/60/51/88/981605188.db2.gz ZTSNANURCAOURG-UHFFFAOYSA-N -2 3 423.878 3.778 20 0 HHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3ccc(C(C)(C)C)s3)cc2)n1 ZINC000439067497 983235066 /nfs/dbraw/zinc/23/50/66/983235066.db2.gz OMXCRQANPMNQSY-UHFFFAOYSA-N -2 3 403.529 3.905 20 0 HHADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)c(C)cc1Cl ZINC000443467154 985642614 /nfs/dbraw/zinc/64/26/14/985642614.db2.gz RGRLLWYKVGXPKG-UHFFFAOYSA-N -2 3 404.271 3.738 20 0 HHADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000463111294 986073812 /nfs/dbraw/zinc/07/38/12/986073812.db2.gz WSTMFGPQMUGSIB-UHFFFAOYSA-N -2 3 419.268 3.724 20 0 HHADHL O=S(=O)([N-]c1ccccc1F)c1c[nH]c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445485656 987545596 /nfs/dbraw/zinc/54/55/96/987545596.db2.gz BOUVKVARTQIZHI-UHFFFAOYSA-N -2 3 418.381 3.516 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc(C(=O)[O-])c1C ZINC000471108931 989210556 /nfs/dbraw/zinc/21/05/56/989210556.db2.gz ALJICGAMRBUAOL-UHFFFAOYSA-N -2 3 419.499 3.608 20 0 HHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(-c2nc(C)cc(=O)[n-]2)cc1 ZINC000471110008 989212438 /nfs/dbraw/zinc/21/24/38/989212438.db2.gz KHSIWJFHGBYXMI-UHFFFAOYSA-N -2 3 413.430 3.740 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1OCC1CCOCC1 ZINC000466271395 991516834 /nfs/dbraw/zinc/51/68/34/991516834.db2.gz UTPYHCKPBROJQG-UHFFFAOYSA-N -2 3 419.499 3.608 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(OCC(F)(F)F)c1C ZINC000466284407 991531422 /nfs/dbraw/zinc/53/14/22/991531422.db2.gz ADWADTWFZOHBKI-UHFFFAOYSA-N -2 3 403.378 3.744 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000466288488 991536820 /nfs/dbraw/zinc/53/68/20/991536820.db2.gz MPRJXGBFNMUZRN-AREMUKBSSA-N -2 3 409.529 3.541 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c(SCCC(=O)[O-])c1 ZINC000484499413 996825353 /nfs/dbraw/zinc/82/53/53/996825353.db2.gz ITVBFZZJGGMQNP-UHFFFAOYSA-N -2 3 413.492 3.522 20 0 HHADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000476422478 996889057 /nfs/dbraw/zinc/88/90/57/996889057.db2.gz GVOFYZBJWXYULQ-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C([O-])c1cccc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1 ZINC000486180746 998624685 /nfs/dbraw/zinc/62/46/85/998624685.db2.gz ANLKFJLIOPLOIU-UHFFFAOYSA-N -2 3 414.414 3.577 20 0 HHADHL Cc1cc(Oc2ccc([N-]S(=O)(=O)c3cc(Cl)c(C)c(C(=O)[O-])c3)cc2)n[nH]1 ZINC000479229881 999334752 /nfs/dbraw/zinc/33/47/52/999334752.db2.gz CIFDMFSKOMKOOT-UHFFFAOYSA-N -2 3 421.862 3.971 20 0 HHADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(F)c1 ZINC000479375385 999410556 /nfs/dbraw/zinc/41/05/56/999410556.db2.gz LQEDXPSSVAMQTA-UHFFFAOYSA-N -2 3 423.462 3.599 20 0 HHADHL Cc1cc(F)c(Br)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000480196543 999742149 /nfs/dbraw/zinc/74/21/49/999742149.db2.gz JQOWOFFRJUEXBB-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1nc(C=Cc2ccc(OC(F)F)c(Br)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504713203 1000337019 /nfs/dbraw/zinc/33/70/19/1000337019.db2.gz UZJGCBLDZCGKKL-HYXAFXHYSA-N -2 3 415.190 3.652 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccn3)cc2)cc1C(=O)[O-] ZINC000505300082 1000683330 /nfs/dbraw/zinc/68/33/30/1000683330.db2.gz OUFYVONERDJKJM-UHFFFAOYSA-N -2 3 414.439 3.772 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)ccc1C(=O)[O-] ZINC000506661059 1001486592 /nfs/dbraw/zinc/48/65/92/1001486592.db2.gz FNDWENLSRQIDMB-AREMUKBSSA-N -2 3 409.529 3.541 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cc3nc(C(C)C)no3)cc2)ccc1C(=O)[O-] ZINC000507949687 1002482310 /nfs/dbraw/zinc/48/23/10/1002482310.db2.gz HUWRBHYHJZCIQA-UHFFFAOYSA-N -2 3 415.471 3.591 20 0 HHADHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccoc1 ZINC000508191392 1002725991 /nfs/dbraw/zinc/72/59/91/1002725991.db2.gz BVYOWONQSPDGGX-UHFFFAOYSA-N -2 3 412.876 3.535 20 0 HHADHL Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512724991 1004520004 /nfs/dbraw/zinc/52/00/04/1004520004.db2.gz IVJQYYADDAESIM-UHFFFAOYSA-N -2 3 404.488 3.705 20 0 HHADHL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC(F)F ZINC000511271063 1005101263 /nfs/dbraw/zinc/10/12/63/1005101263.db2.gz KSBDSIHVAWWGPP-UHFFFAOYSA-N -2 3 415.414 3.721 20 0 HHADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000511618721 1005246673 /nfs/dbraw/zinc/24/66/73/1005246673.db2.gz SIONNXMXTGQSQJ-UHFFFAOYSA-N -2 3 416.524 3.905 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)OC(C)(C)C)c2)c(C)c1C(=O)[O-] ZINC000533579427 1007882544 /nfs/dbraw/zinc/88/25/44/1007882544.db2.gz DSYKGYGVVVLHIH-UHFFFAOYSA-N -2 3 419.499 3.687 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1C(=O)[O-] ZINC000519217655 1008622046 /nfs/dbraw/zinc/62/20/46/1008622046.db2.gz SUCMRQJTJKMQKY-UHFFFAOYSA-N -2 3 412.467 3.776 20 0 HHADHL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1cc2sccc2s1 ZINC000521387423 1010350063 /nfs/dbraw/zinc/35/00/63/1010350063.db2.gz NMFVOYPIQBOELF-UHFFFAOYSA-N -2 3 422.538 3.867 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccsc3c2)c(Br)c1 ZINC000547587409 1010357107 /nfs/dbraw/zinc/35/71/07/1010357107.db2.gz LZQKRGHQVMGDGZ-UHFFFAOYSA-N -2 3 413.274 3.558 20 0 HHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000547882849 1010460287 /nfs/dbraw/zinc/46/02/87/1010460287.db2.gz PYHUEUFLSXAPOZ-UHFFFAOYSA-N -2 3 404.488 3.787 20 0 HHADHL Cc1ccc(C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000547894941 1010462975 /nfs/dbraw/zinc/46/29/75/1010462975.db2.gz MYZYNVVXBIURJQ-ZDUSSCGKSA-N -2 3 402.299 3.524 20 0 HHADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547913501 1010468046 /nfs/dbraw/zinc/46/80/46/1010468046.db2.gz OLWOWQAKUWBIGU-UHFFFAOYSA-N -2 3 422.915 3.683 20 0 HHADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)c1 ZINC000548554776 1010663589 /nfs/dbraw/zinc/66/35/89/1010663589.db2.gz KCSZIYOFYZCTSA-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000548570912 1010668910 /nfs/dbraw/zinc/66/89/10/1010668910.db2.gz PCGISRCQJUWZGD-ZDUSSCGKSA-N -2 3 414.188 3.515 20 0 HHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)c(OCC(=O)[O-])c2C)cc1 ZINC000522395544 1010978723 /nfs/dbraw/zinc/97/87/23/1010978723.db2.gz NQWCNESPNJJTNX-CQSZACIVSA-N -2 3 407.488 3.745 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C3CCCCC3)c2)cc1 ZINC000522594256 1011098794 /nfs/dbraw/zinc/09/87/94/1011098794.db2.gz IMAPNFVRVLNWPP-MHZLTWQESA-N -2 3 421.540 3.767 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(C)c(OCC(=O)[O-])c(C)c3)c2)n1 ZINC000540776388 1011434235 /nfs/dbraw/zinc/43/42/35/1011434235.db2.gz LUVDXCHBKDBWDB-UHFFFAOYSA-N -2 3 421.453 3.744 20 0 HHADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1C ZINC000523187119 1011671984 /nfs/dbraw/zinc/67/19/84/1011671984.db2.gz MWQIHGCLPRKICL-UHFFFAOYSA-N -2 3 407.488 3.665 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)CCCCSC)c1 ZINC000523527783 1012055333 /nfs/dbraw/zinc/05/53/33/1012055333.db2.gz NPCDJLRGQLHZPI-UHFFFAOYSA-N -2 3 424.544 3.673 20 0 HHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1Cl ZINC000537037233 1012354271 /nfs/dbraw/zinc/35/42/71/1012354271.db2.gz VRBIZFWDYPIKAL-UHFFFAOYSA-N -2 3 413.879 3.565 20 0 HHADHL O=C([N-]S(=O)(=O)c1ccc(Nc2ccc([O-])c(F)c2F)cc1)c1ccccc1 ZINC001212010889 1071895454 /nfs/dbraw/zinc/89/54/54/1071895454.db2.gz FMJLHWJUHRERDO-UHFFFAOYSA-N -2 3 404.394 3.533 20 0 HHADHL O=C([O-])[C@@H](CCSc1ccccc1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000555128425 1073178912 /nfs/dbraw/zinc/17/89/12/1073178912.db2.gz FYIJUBRZYHJSLX-CQSZACIVSA-N -2 3 420.339 3.907 20 0 HHADHL CC(C)(C)CCS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000574330579 1075222236 /nfs/dbraw/zinc/22/22/36/1075222236.db2.gz WGMQQKKQXMRPEC-UHFFFAOYSA-N -2 3 414.524 3.804 20 0 HHADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccc(C)c(C)c3)cc2)cc(=O)[n-]1 ZINC000584328564 939797215 /nfs/dbraw/zinc/79/72/15/939797215.db2.gz COYKYAYPAKECTQ-HXUWFJFHSA-N -2 3 406.442 3.722 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@@H](C)C(C)(C)C)c1 ZINC000537642609 1013201788 /nfs/dbraw/zinc/20/17/88/1013201788.db2.gz LBCKSFBEQVLRHE-AWEZNQCLSA-N -2 3 420.531 3.708 20 0 HHADHL C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000014064329 962414473 /nfs/dbraw/zinc/41/44/73/962414473.db2.gz PRBFJMMCEMBGEW-CYBMUJFWSA-N -2 3 408.907 3.719 20 0 HHADHL O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000016097058 962942856 /nfs/dbraw/zinc/94/28/56/962942856.db2.gz RRGLVZPHBWOMBB-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL Cc1ccc(C(=O)Nc2ncccc2[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000022264564 963620717 /nfs/dbraw/zinc/62/07/17/963620717.db2.gz FEGHVIVIPMYBDY-UHFFFAOYSA-N -2 3 417.874 3.802 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccsc2)c1 ZINC000024895393 964103710 /nfs/dbraw/zinc/10/37/10/964103710.db2.gz VVTCWKLYBBIMRY-UHFFFAOYSA-N -2 3 404.469 3.515 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000055591253 965945632 /nfs/dbraw/zinc/94/56/32/965945632.db2.gz QCFLMOYSHDUTTR-UHFFFAOYSA-N -2 3 402.497 3.597 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC(=O)[O-] ZINC000063476343 966871321 /nfs/dbraw/zinc/87/13/21/966871321.db2.gz YCMNSULPPZXOOV-UHFFFAOYSA-N -2 3 423.796 3.931 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(COCCOC(C)C)c2)cc1C(=O)[O-] ZINC000065832813 968669631 /nfs/dbraw/zinc/66/96/31/968669631.db2.gz WDBGXUMOGDFBGR-UHFFFAOYSA-N -2 3 421.515 3.744 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000538298053 1013833780 /nfs/dbraw/zinc/83/37/80/1013833780.db2.gz DCEBFNRSGHRWHS-MHZLTWQESA-N -2 3 417.508 3.509 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cc(Br)ccc3[O-])c2)n1 ZINC000195637997 969924593 /nfs/dbraw/zinc/92/45/93/969924593.db2.gz RFAVYQJUDWMWDC-UHFFFAOYSA-N -2 3 414.259 3.720 20 0 HHADHL COc1ccc(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)cc1CC(=O)[O-] ZINC000207707334 970014155 /nfs/dbraw/zinc/01/41/55/970014155.db2.gz HSVCNUGXZWVSSW-HYXAFXHYSA-N -2 3 421.243 3.695 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c(F)c1 ZINC000317700692 972658153 /nfs/dbraw/zinc/65/81/53/972658153.db2.gz KNQGVGBIJHFFAC-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)ccc2Br)c1 ZINC000318374725 972662022 /nfs/dbraw/zinc/66/20/22/972662022.db2.gz YSZCKURIZYDZOV-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1C(=O)[O-] ZINC000323830904 972715303 /nfs/dbraw/zinc/71/53/03/972715303.db2.gz HWDKHPFUHKIKST-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000323764757 972715486 /nfs/dbraw/zinc/71/54/86/972715486.db2.gz XBKYVNGYXYIWCV-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000327064592 972753181 /nfs/dbraw/zinc/75/31/81/972753181.db2.gz CBSKGDABUYYSHP-NXEZZACHSA-N -2 3 401.834 3.917 20 0 HHADHL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000391091660 972836419 /nfs/dbraw/zinc/83/64/19/972836419.db2.gz UEIVWCJDVFLTGS-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1C(=O)[O-] ZINC000392097580 972848180 /nfs/dbraw/zinc/84/81/80/972848180.db2.gz UBUKGYNBACHHMA-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)s1 ZINC000431170111 978070769 /nfs/dbraw/zinc/07/07/69/978070769.db2.gz OMSXZJJIUJUKQP-UHFFFAOYSA-N -2 3 422.553 3.967 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C(=O)[O-] ZINC000431182484 978081388 /nfs/dbraw/zinc/08/13/88/978081388.db2.gz MXKALWHFHIJZBI-UHFFFAOYSA-N -3 3 417.361 3.519 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)cc1C(C)C ZINC000432770967 978969078 /nfs/dbraw/zinc/96/90/78/978969078.db2.gz YXARNHYOJITFNL-UHFFFAOYSA-N -2 3 419.499 3.975 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cnc4ccc(F)cc4c3)c2)n1 ZINC000436476648 981393929 /nfs/dbraw/zinc/39/39/29/981393929.db2.gz JWWAISUNQIJCRX-UHFFFAOYSA-N -2 3 424.457 3.900 20 0 HHADHL O=C(Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1)C1CC1 ZINC000436477680 981393959 /nfs/dbraw/zinc/39/39/59/981393959.db2.gz JSOMCOPRCCKOPR-UHFFFAOYSA-N -2 3 400.378 3.560 20 0 HHADHL COc1cc(NC(=O)c2cc(F)ccc2[O-])ccc1NC(=O)c1cc(F)ccc1[O-] ZINC000436546363 981434315 /nfs/dbraw/zinc/43/43/15/981434315.db2.gz OFAYQKUBZPCHMO-UHFFFAOYSA-N -2 3 414.364 3.889 20 0 HHADHL CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436588312 981462072 /nfs/dbraw/zinc/46/20/72/981462072.db2.gz ZYMXUXWXWDRXCB-CYBMUJFWSA-N -2 3 408.907 3.719 20 0 HHADHL CC(C)[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436658518 981495886 /nfs/dbraw/zinc/49/58/86/981495886.db2.gz LWIRUCAAHKAWOW-ZDUSSCGKSA-N -2 3 410.923 3.963 20 0 HHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000436667690 981500473 /nfs/dbraw/zinc/50/04/73/981500473.db2.gz UTBOTFTWFSUJCX-UHFFFAOYSA-N -2 3 409.769 3.652 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC[C@H](C2CC2)C1 ZINC000436811878 981572309 /nfs/dbraw/zinc/57/23/09/981572309.db2.gz VXIGVBQFPXFOCD-AWEZNQCLSA-N -2 3 420.918 3.719 20 0 HHADHL C[C@H](NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C(F)(F)F ZINC000436847813 981588495 /nfs/dbraw/zinc/58/84/95/981588495.db2.gz RIPMXLIIAILBKU-VIFPVBQESA-N -2 3 422.812 3.527 20 0 HHADHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([O-])c(-c2nc(-c3ccon3)no2)c1 ZINC000436948722 981639147 /nfs/dbraw/zinc/63/91/47/981639147.db2.gz URHWXOFUMFOBBT-UHFFFAOYSA-N -2 3 418.818 3.551 20 0 HHADHL CC1=CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000437971374 982497798 /nfs/dbraw/zinc/49/77/98/982497798.db2.gz VCBNOSQQDZDKPA-UHFFFAOYSA-N -2 3 406.891 3.639 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(CCC(F)(F)F)cc2)ccc1OCC(=O)[O-] ZINC000440298671 983710967 /nfs/dbraw/zinc/71/09/67/983710967.db2.gz VTHANXJVYBNKOL-UHFFFAOYSA-N -2 3 417.405 3.754 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1C(=O)[O-] ZINC000441336859 984192784 /nfs/dbraw/zinc/19/27/84/984192784.db2.gz TVPRSPCVNZWBQG-UHFFFAOYSA-N -2 3 403.456 3.790 20 0 HHADHL COc1ccc(Oc2ccc(S(=O)(=O)[N-]c3cccc(CC(=O)[O-])c3)cc2)cc1 ZINC000462099398 985070112 /nfs/dbraw/zinc/07/01/12/985070112.db2.gz RTLSHNICMKMSAR-UHFFFAOYSA-N -2 3 413.451 3.915 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCC[C@@H]2C)c1 ZINC000470397708 988357756 /nfs/dbraw/zinc/35/77/56/988357756.db2.gz MPDLYAXNJOYIKQ-GJZGRUSLSA-N -2 3 418.515 3.966 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc(C(=O)[O-])c1C ZINC000471122420 989227827 /nfs/dbraw/zinc/22/78/27/989227827.db2.gz NMJQEBXGEMITDK-UHFFFAOYSA-N -2 3 419.499 3.669 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc(C(=O)[O-])c1C ZINC000471134268 989244564 /nfs/dbraw/zinc/24/45/64/989244564.db2.gz UZFFCDGXIQQGJP-UHFFFAOYSA-N -2 3 404.488 3.787 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3c[nH]c4cccc(F)c34)c2)n1 ZINC000471948456 990112149 /nfs/dbraw/zinc/11/21/49/990112149.db2.gz YOCXLHDYAOSZOG-UHFFFAOYSA-N -2 3 412.446 3.833 20 0 HHADHL Cc1cc(Sc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000466291751 991542046 /nfs/dbraw/zinc/54/20/46/991542046.db2.gz ZTHJHHLAHUGFRU-UHFFFAOYSA-N -2 3 415.496 3.744 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccc(C)o3)ccc2C)cc1CC(=O)[O-] ZINC000475815991 996389139 /nfs/dbraw/zinc/38/91/39/996389139.db2.gz LEMWEPKZUYBYNH-UHFFFAOYSA-N -2 3 415.467 4.000 20 0 HHADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2sc(C)nc2cc1Cl ZINC000479281223 999363230 /nfs/dbraw/zinc/36/32/30/999363230.db2.gz MHUDLGYFYMDONK-UHFFFAOYSA-N -2 3 412.876 3.766 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1Br ZINC000488352215 999453359 /nfs/dbraw/zinc/45/33/59/999453359.db2.gz GRHUCUFJIOBSOH-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1Br ZINC000488358402 999455638 /nfs/dbraw/zinc/45/56/38/999455638.db2.gz XIWCMUGQCMYVDJ-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL CC(=O)N(c1nc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cs1)c1ccc(C)cc1 ZINC000504731243 1000345737 /nfs/dbraw/zinc/34/57/37/1000345737.db2.gz OUSIUHQXEOASLC-RMKNXTFCSA-N -2 3 424.482 3.738 20 0 HHADHL Cc1nc(C=Cc2cccc(OCc3ccccc3C(=O)[O-])c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504741744 1000350394 /nfs/dbraw/zinc/35/03/94/1000350394.db2.gz MNKLPLXFYJLLMR-MDZDMXLPSA-N -3 3 420.421 3.565 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccoc3)c2)c(C)c1 ZINC000506552415 1001457701 /nfs/dbraw/zinc/45/77/01/1001457701.db2.gz HTDVRVUGMYXQBK-UHFFFAOYSA-N -2 3 420.512 3.806 20 0 HHADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000506673834 1001489992 /nfs/dbraw/zinc/48/99/92/1001489992.db2.gz ITBXGASKTXQBEO-UHFFFAOYSA-N -2 3 422.553 3.967 20 0 HHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000507003876 1001759354 /nfs/dbraw/zinc/75/93/54/1001759354.db2.gz ZYOWUMSYAPYYEG-UHFFFAOYSA-N -2 3 403.378 3.993 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(Cl)c2)cc1 ZINC000509646054 1004003046 /nfs/dbraw/zinc/00/30/46/1004003046.db2.gz HKTSWHFZPMYLNG-UHFFFAOYSA-N -2 3 413.879 3.783 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1Cl ZINC000509653373 1004007019 /nfs/dbraw/zinc/00/70/19/1004007019.db2.gz RSPHVWPBYQZBPC-UHFFFAOYSA-N -2 3 409.891 3.873 20 0 HHADHL O=C([O-])CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC000513695737 1005085634 /nfs/dbraw/zinc/08/56/34/1005085634.db2.gz LAVBXDXUFIJFHM-UHFFFAOYSA-N -2 3 417.270 3.598 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000504377476 1005611847 /nfs/dbraw/zinc/61/18/47/1005611847.db2.gz XTSDHTXHHMKOFJ-GJZGRUSLSA-N -2 3 418.515 3.605 20 0 HHADHL CCC(CC)c1cc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)on1 ZINC000546970444 1009925536 /nfs/dbraw/zinc/92/55/36/1009925536.db2.gz OIWPQWWNKRPBRG-UHFFFAOYSA-N -2 3 400.884 3.717 20 0 HHADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000551029123 1010326563 /nfs/dbraw/zinc/32/65/63/1010326563.db2.gz TUTLBWPKTZTQBY-GOSISDBHSA-N -2 3 416.455 3.578 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c(SCCC(=O)[O-])c1 ZINC000547571424 1010352106 /nfs/dbraw/zinc/35/21/06/1010352106.db2.gz VEQONIFITBKTPS-UHFFFAOYSA-N -2 3 401.456 3.782 20 0 HHADHL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Br)cc1F ZINC000547588500 1010356987 /nfs/dbraw/zinc/35/69/87/1010356987.db2.gz YVIBBJGOCXXDOL-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1ncc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccc(Cl)c(Cl)c2)s1 ZINC000548528237 1010657323 /nfs/dbraw/zinc/65/73/23/1010657323.db2.gz HAFGZJSVXBTZQD-LBPRGKRZSA-N -2 3 409.316 3.643 20 0 HHADHL Cc1ccc([C@@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C(=O)[O-])cc1 ZINC000548528762 1010657544 /nfs/dbraw/zinc/65/75/44/1010657544.db2.gz ATTKJRIWNBDMGF-LLVKDONJSA-N -2 3 424.725 3.577 20 0 HHADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)c1c(Cl)cccc1Cl ZINC000548570474 1010668803 /nfs/dbraw/zinc/66/88/03/1010668803.db2.gz PCGISRCQJUWZGD-CYBMUJFWSA-N -2 3 414.188 3.515 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000537197073 1012615007 /nfs/dbraw/zinc/61/50/07/1012615007.db2.gz JHVGERDVORUNOQ-UHFFFAOYSA-N -2 3 404.488 3.720 20 0 HHADHL COc1ccc(CC(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(F)F)c1Cl ZINC000541807307 1012691479 /nfs/dbraw/zinc/69/14/79/1012691479.db2.gz KOKFOKFIBSGELC-UHFFFAOYSA-N -2 3 405.806 3.714 20 0 HHADHL CSCCc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1 ZINC000542005104 1012886693 /nfs/dbraw/zinc/88/66/93/1012886693.db2.gz OYANCDYIOIULRU-UHFFFAOYSA-N -2 3 407.557 3.945 20 0 HHADHL O=C([O-])c1csc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000555743344 1073787045 /nfs/dbraw/zinc/78/70/45/1073787045.db2.gz RPJUJNACGAAUEH-UHFFFAOYSA-N -2 3 420.443 3.639 20 0 HHADHL O=C([N-]CC[C@H]1CN(C(=O)c2cc(Cl)ccc2[O-])c2ccccc21)C(F)(F)F ZINC001649005589 1074160805 /nfs/dbraw/zinc/16/08/05/1074160805.db2.gz ISPZNQPBUPTCDZ-NSHDSACASA-N -2 3 412.795 3.858 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC000537642610 1013201736 /nfs/dbraw/zinc/20/17/36/1013201736.db2.gz LBCKSFBEQVLRHE-CQSZACIVSA-N -2 3 420.531 3.708 20 0 HHADHL COc1ccc(Br)cc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000013269584 962382063 /nfs/dbraw/zinc/38/20/63/962382063.db2.gz VSAAZQNGGRZANF-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL CC(C)Cn1ccc2cc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccc21 ZINC000050532957 964346981 /nfs/dbraw/zinc/34/69/81/964346981.db2.gz UDVLYWALXQXJPB-UHFFFAOYSA-N -2 3 402.472 3.562 20 0 HHADHL CCOc1cc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc(Br)c1[O-] ZINC000052507868 964919290 /nfs/dbraw/zinc/91/92/90/964919290.db2.gz AZLGQRORZPMMOH-ARJAWSKDSA-N -2 3 409.192 3.725 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(F)cc2)c1 ZINC000028841725 965197513 /nfs/dbraw/zinc/19/75/13/965197513.db2.gz WNKBDBKRVHRZTN-UHFFFAOYSA-N -2 3 416.430 3.593 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCCC2)O3)cc1C(=O)[O-] ZINC000055577753 965932048 /nfs/dbraw/zinc/93/20/48/965932048.db2.gz CCLNYFGZKVCCJQ-UHFFFAOYSA-N -2 3 419.455 3.626 20 0 HHADHL Cc1ccc(NC(=O)C(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000055592075 965946706 /nfs/dbraw/zinc/94/67/06/965946706.db2.gz GNPJSMXPMZXZNV-UHFFFAOYSA-N -2 3 404.488 3.705 20 0 HHADHL Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]NC(=O)c1cc2ccccc2cc1[O-] ZINC000060658687 966247198 /nfs/dbraw/zinc/24/71/98/966247198.db2.gz IHLJFGOYFKQMOJ-UHFFFAOYSA-N -2 3 420.856 3.768 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Oc3ccc(C)cc3OC)nc2)c1 ZINC000538299714 1013835190 /nfs/dbraw/zinc/83/51/90/1013835190.db2.gz OXJCIDJLCRUXHT-UHFFFAOYSA-N -2 3 416.455 3.706 20 0 HHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Cl)c1Br ZINC000318735285 972665229 /nfs/dbraw/zinc/66/52/29/972665229.db2.gz HHFPWSOYYHIWMO-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)c(Br)c(C)c2)cc1C(=O)[O-] ZINC000325968635 972737844 /nfs/dbraw/zinc/73/78/44/972737844.db2.gz UKBCDGWMTDDCMP-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL CN(C)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000326917668 972750104 /nfs/dbraw/zinc/75/01/04/972750104.db2.gz QHHSBXZAYGWTNF-UHFFFAOYSA-N -2 3 403.287 3.554 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1Br ZINC000391713385 972844267 /nfs/dbraw/zinc/84/42/67/972844267.db2.gz KBJXCNAJQBRZKP-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1Cl ZINC000431169027 978069902 /nfs/dbraw/zinc/06/99/02/978069902.db2.gz KMURFACNRNLMAJ-UHFFFAOYSA-N -2 3 423.796 3.802 20 0 HHADHL CCc1cccc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1 ZINC000433502712 979340855 /nfs/dbraw/zinc/34/08/55/979340855.db2.gz REUCELZETUQTJS-UHFFFAOYSA-N -2 3 416.524 3.851 20 0 HHADHL C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C[C@H]1C ZINC000436622150 981479207 /nfs/dbraw/zinc/47/92/07/981479207.db2.gz YVURNGYYFBEUNU-UONOGXRCSA-N -2 3 422.934 3.965 20 0 HHADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCCC1 ZINC000436754131 981546433 /nfs/dbraw/zinc/54/64/33/981546433.db2.gz HINGRXCYVPGEIU-UHFFFAOYSA-N -2 3 408.907 3.861 20 0 HHADHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([O-])c(-c2nc([C@H]3CCCO3)no2)c1 ZINC000436932997 981631620 /nfs/dbraw/zinc/63/16/20/981631620.db2.gz AMCJYQRKKUGSQO-MRXNPFEDSA-N -2 3 421.862 3.748 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccco3)c2)c(C)c1 ZINC000437665342 982281627 /nfs/dbraw/zinc/28/16/27/982281627.db2.gz YPUFRGFUZFDQCZ-UHFFFAOYSA-N -2 3 420.512 3.806 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)cc1C(=O)[O-] ZINC000441318956 984179789 /nfs/dbraw/zinc/17/97/89/984179789.db2.gz RWDQJHWPEWLBDZ-UHFFFAOYSA-N -2 3 403.378 3.689 20 0 HHADHL CC(C)COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)cc1 ZINC000469128561 986847863 /nfs/dbraw/zinc/84/78/63/986847863.db2.gz ZUEMYCIOFVRBFO-UHFFFAOYSA-N -2 3 405.472 3.570 20 0 HHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cc(C)c(F)cc3Cl)cc2)n1 ZINC000471112593 989215821 /nfs/dbraw/zinc/21/58/21/989215821.db2.gz MJGALRRQCNEBMO-UHFFFAOYSA-N -2 3 407.854 3.647 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc(C(=O)[O-])c1C ZINC000471137509 989248722 /nfs/dbraw/zinc/24/87/22/989248722.db2.gz TYWIVCSYDZQTRX-UHFFFAOYSA-N -2 3 412.467 3.776 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1Br ZINC000476249528 996706107 /nfs/dbraw/zinc/70/61/07/996706107.db2.gz QVUQKJIUSGOYMR-UHFFFAOYSA-N -2 3 422.203 3.550 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)c(C)c1 ZINC000476387566 996835070 /nfs/dbraw/zinc/83/50/70/996835070.db2.gz RWXRLGOGBRRGAW-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000484865208 997230126 /nfs/dbraw/zinc/23/01/26/997230126.db2.gz CWGWYOKETZABJG-CQSZACIVSA-N -2 3 419.396 3.599 20 0 HHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cnn(CCC(C)C)c2C(C)C)ccc1[O-] ZINC000486087109 998534960 /nfs/dbraw/zinc/53/49/60/998534960.db2.gz OUVKAVULBNSHAZ-UHFFFAOYSA-N -2 3 408.524 3.517 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)c(C)c1C(=O)[O-] ZINC000479334996 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HHZZOXZNDGCLAY-UHFFFAOYSA-N -2 3 404.488 3.720 20 0 HHADHL O=C([O-])CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000514854394 1006173332 /nfs/dbraw/zinc/17/33/32/1006173332.db2.gz BTHJCPVHEVTVRQ-UHFFFAOYSA-N -2 3 417.270 3.598 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CC[C@@H](C)C2)c1 ZINC000532091956 1006626903 /nfs/dbraw/zinc/62/69/03/1006626903.db2.gz LDOYPFFPSQLPLT-CABCVRRESA-N -2 3 418.515 3.966 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N(C(C)C)C2CCC2)c1 ZINC000539842144 1008133446 /nfs/dbraw/zinc/13/34/46/1008133446.db2.gz XWLUAMXEPGANKV-UHFFFAOYSA-N -2 3 418.515 3.605 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(F)(F)F)c2)cc1CC(=O)[O-] ZINC000540293252 1008370033 /nfs/dbraw/zinc/37/00/33/1008370033.db2.gz SVBHCNHAMPFYQJ-UHFFFAOYSA-N -2 3 417.405 3.618 20 0 HHADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(C)c(Br)s1)C(=O)[O-] ZINC000518679456 1008389466 /nfs/dbraw/zinc/38/94/66/1008389466.db2.gz LGCRTQYMJPGQCE-LLVKDONJSA-N -2 3 412.371 3.769 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccccc3)c2C)c1 ZINC000540498312 1008456566 /nfs/dbraw/zinc/45/65/66/1008456566.db2.gz WPBJYRFTVAKYDQ-UHFFFAOYSA-N -2 3 412.467 3.762 20 0 HHADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000543164280 1008739686 /nfs/dbraw/zinc/73/96/86/1008739686.db2.gz MBWOMYVHRRIEQP-UHFFFAOYSA-N -2 3 404.419 3.738 20 0 HHADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Br ZINC000519520638 1008893408 /nfs/dbraw/zinc/89/34/08/1008893408.db2.gz NBZFETSCSFSRCN-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])s1 ZINC000548595694 1010675738 /nfs/dbraw/zinc/67/57/38/1010675738.db2.gz XXOWFBHIEDKJSO-GXFFZTMASA-N -2 3 418.334 3.559 20 0 HHADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)c(F)c1 ZINC000548596159 1010675997 /nfs/dbraw/zinc/67/59/97/1010675997.db2.gz HVRXRKRXRDVOJQ-SNVBAGLBSA-N -2 3 418.682 3.952 20 0 HHADHL O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(F)(F)F ZINC000551910987 1012021395 /nfs/dbraw/zinc/02/13/95/1012021395.db2.gz ROCMTRUBIKZTPB-NSHDSACASA-N -2 3 409.813 3.815 20 0 HHADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000570994170 1072541227 /nfs/dbraw/zinc/54/12/27/1072541227.db2.gz YIBBWKLGBIMLFZ-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)ccc1F ZINC000591797358 1074545331 /nfs/dbraw/zinc/54/53/31/1074545331.db2.gz XFAVZOGYDPGGPG-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc(Sc4ccccc4)c3)ccc21 ZINC000597678868 1075690782 /nfs/dbraw/zinc/69/07/82/1075690782.db2.gz FNAGRHHBHONLFL-UHFFFAOYSA-N -2 3 410.476 3.522 20 0 HHADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3ccc(F)c(C)c3)cc2)cc(=O)[n-]1 ZINC000565517822 939349082 /nfs/dbraw/zinc/34/90/82/939349082.db2.gz OAIICUWZXKGSLI-LJQANCHMSA-N -2 3 410.405 3.553 20 0 HHADHL O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000016097060 962942865 /nfs/dbraw/zinc/94/28/65/962942865.db2.gz DTKBOPSMAJULAX-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][N-]C(=O)c2ccc3ccccc3n2)c1Cl ZINC000023716773 963879957 /nfs/dbraw/zinc/87/99/57/963879957.db2.gz JUDAQTJWPPTBBY-UHFFFAOYSA-N -2 3 424.309 3.782 20 0 HHADHL CS(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000055586694 965941160 /nfs/dbraw/zinc/94/11/60/965941160.db2.gz CDSSGNDMPOWTGJ-UHFFFAOYSA-N -2 3 402.497 3.526 20 0 HHADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)c2)cs1 ZINC000031667218 966079158 /nfs/dbraw/zinc/07/91/58/966079158.db2.gz NVTQWDOLRSPOPT-UHFFFAOYSA-N -2 3 404.469 3.632 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1OC1CCCC1 ZINC000032098476 966195201 /nfs/dbraw/zinc/19/52/01/966195201.db2.gz GJDSUWBBIUQBPL-UHFFFAOYSA-N -2 3 421.471 3.530 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1C(F)(F)F ZINC000063476526 966871226 /nfs/dbraw/zinc/87/12/26/966871226.db2.gz MRBDSEGHFRGBJL-UHFFFAOYSA-N -2 3 403.378 3.586 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)ccc1OCC(=O)[O-] ZINC000063476353 966871413 /nfs/dbraw/zinc/87/14/13/966871413.db2.gz CMRZQMYMKXEZMN-UHFFFAOYSA-N -2 3 411.479 3.850 20 0 HHADHL CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000063877819 966984348 /nfs/dbraw/zinc/98/43/48/966984348.db2.gz WCCMZFAFAOIDKW-UHFFFAOYSA-N -2 3 421.233 3.590 20 0 HHADHL Cc1cc(Br)cc(C)c1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000097211400 969102534 /nfs/dbraw/zinc/10/25/34/969102534.db2.gz JOJDSOVPBPRLRE-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1c(Br)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000321026984 972686881 /nfs/dbraw/zinc/68/68/81/972686881.db2.gz VXEYWKFOBNCEEF-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(Br)c2C)c1 ZINC000322820748 972703481 /nfs/dbraw/zinc/70/34/81/972703481.db2.gz CFGBKRGXWJJOJG-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccc(F)cc1 ZINC000324941125 972727099 /nfs/dbraw/zinc/72/70/99/972727099.db2.gz XKFPQBMSRTUBCI-CYBMUJFWSA-N -2 3 420.256 3.555 20 0 HHADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000327064595 972753311 /nfs/dbraw/zinc/75/33/11/972753311.db2.gz CBSKGDABUYYSHP-ZJUUUORDSA-N -2 3 401.834 3.917 20 0 HHADHL O=C(Nc1ccc([O-])c(Cl)c1)[C@H]1CC[C@H](C(=O)Nc2ccc([O-])c(Cl)c2)O1 ZINC000427649330 975223980 /nfs/dbraw/zinc/22/39/80/975223980.db2.gz XBJLWGIXYKNVOP-HZPDHXFCSA-N -2 3 411.241 3.529 20 0 HHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cc1C ZINC000435723321 981003262 /nfs/dbraw/zinc/00/32/62/981003262.db2.gz OEHJQJBVAVYXHR-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL C[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C[C@H]1C ZINC000436575938 981455043 /nfs/dbraw/zinc/45/50/43/981455043.db2.gz POENRNKHDUNDMC-BETUJISGSA-N -2 3 408.907 3.574 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1C[C@H]2CCC[C@@H]2C1 ZINC000436584443 981460085 /nfs/dbraw/zinc/46/00/85/981460085.db2.gz PVCUGERYGLFOEC-ZIAGYGMSSA-N -2 3 420.918 3.719 20 0 HHADHL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C[C@H]1C ZINC000436622155 981479773 /nfs/dbraw/zinc/47/97/73/981479773.db2.gz YVURNGYYFBEUNU-ZIAGYGMSSA-N -2 3 422.934 3.965 20 0 HHADHL CCC1(C)CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436839839 981585095 /nfs/dbraw/zinc/58/50/95/981585095.db2.gz NISQKUBZMNEHFR-UHFFFAOYSA-N -2 3 408.907 3.719 20 0 HHADHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([O-])c(-c2nc(CC3CC3)no2)c1 ZINC000436891088 981603090 /nfs/dbraw/zinc/60/30/90/981603090.db2.gz HJIINSVYPMKRLJ-UHFFFAOYSA-N -2 3 405.863 3.849 20 0 HHADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(OCc2cccnc2)c1 ZINC000443441797 985601419 /nfs/dbraw/zinc/60/14/19/985601419.db2.gz BMWISFKODXEUNI-RMKNXTFCSA-N -2 3 421.453 3.661 20 0 HHADHL Cc1nn(-c2ccc(F)cc2F)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443443836 985604530 /nfs/dbraw/zinc/60/45/30/985604530.db2.gz NQINXCBUWRUCGN-VMPITWQZSA-N -2 3 414.412 3.759 20 0 HHADHL Cc1nn(-c2ccc(F)cc2F)c(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443443840 985604706 /nfs/dbraw/zinc/60/47/06/985604706.db2.gz NQINXCBUWRUCGN-YVMONPNESA-N -2 3 414.412 3.759 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CCC[C@H]2C)c1 ZINC000470397707 988358216 /nfs/dbraw/zinc/35/82/16/988358216.db2.gz MPDLYAXNJOYIKQ-CABCVRRESA-N -2 3 418.515 3.966 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C2C(C)(C)C2(C)C)c1 ZINC000470773459 988820271 /nfs/dbraw/zinc/82/02/71/988820271.db2.gz OPKZAGCPXPAWEK-UHFFFAOYSA-N -2 3 418.515 3.822 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000466288490 991537213 /nfs/dbraw/zinc/53/72/13/991537213.db2.gz MPRJXGBFNMUZRN-SANMLTNESA-N -2 3 409.529 3.541 20 0 HHADHL Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000473427452 994278481 /nfs/dbraw/zinc/27/84/81/994278481.db2.gz NFVFIFOXUGOGAQ-UHFFFAOYSA-N -2 3 413.499 3.534 20 0 HHADHL Cc1csc(C(=O)[N-]c2nnc([N-]S(=O)(=O)c3ccccc3)s2)c1Cl ZINC000479629467 999509132 /nfs/dbraw/zinc/50/91/32/999509132.db2.gz PIHGXUSYZXDKGG-UHFFFAOYSA-N -2 3 414.921 3.615 20 0 HHADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1 ZINC000506994768 1001753569 /nfs/dbraw/zinc/75/35/69/1001753569.db2.gz KWRGVZOSEJBCEO-UHFFFAOYSA-N -2 3 407.488 3.828 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)c(C)c1C(=O)[O-] ZINC000507564553 1002169399 /nfs/dbraw/zinc/16/93/99/1002169399.db2.gz IERGCPOJOWVRMJ-UHFFFAOYSA-N -2 3 403.456 3.546 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1OCC1CCOCC1 ZINC000507919577 1002454435 /nfs/dbraw/zinc/45/44/35/1002454435.db2.gz KIFLHYSXMRGGSI-UHFFFAOYSA-N -2 3 419.499 3.608 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C)c1C(=O)[O-] ZINC000512735635 1004527227 /nfs/dbraw/zinc/52/72/27/1004527227.db2.gz YMLVDPRFLCJOGM-UHFFFAOYSA-N -3 3 417.361 3.519 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C)c1 ZINC000501830790 1004763849 /nfs/dbraw/zinc/76/38/49/1004763849.db2.gz UDOCSCDSCTXODR-UHFFFAOYSA-N -2 3 403.378 3.912 20 0 HHADHL CCCC1(C(=O)Nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2[O-])CC1 ZINC000531866839 1006487417 /nfs/dbraw/zinc/48/74/17/1006487417.db2.gz WBEGRWFMHIWQGM-UHFFFAOYSA-N -2 3 404.488 3.720 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C3CCCCC3)c2)c1 ZINC000539400269 1007708369 /nfs/dbraw/zinc/70/83/69/1007708369.db2.gz ATXJEUPQVORKRW-HHHXNRCGSA-N -2 3 423.556 3.783 20 0 HHADHL CCCC(=O)Nc1nc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3[O-])cc2s1 ZINC000540497489 1008456249 /nfs/dbraw/zinc/45/62/49/1008456249.db2.gz RLBZSCGZFNBZJE-UHFFFAOYSA-N -2 3 421.500 3.550 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(C(=O)[O-])cc2Cl)c(Cl)c1 ZINC000518951931 1008484595 /nfs/dbraw/zinc/48/45/95/1008484595.db2.gz FTWADJULNLCWQS-UHFFFAOYSA-N -2 3 406.243 3.510 20 0 HHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OCc2ccncc2)cc1 ZINC000519217404 1008622360 /nfs/dbraw/zinc/62/23/60/1008622360.db2.gz FTEXXNGKTUKFQN-UHFFFAOYSA-N -2 3 412.467 3.722 20 0 HHADHL Cc1csc(Nc2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)c2)n1 ZINC000520096106 1009254225 /nfs/dbraw/zinc/25/42/25/1009254225.db2.gz CNRGUKRSUDHIQT-UHFFFAOYSA-N -2 3 419.484 3.708 20 0 HHADHL Cc1cccc(C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)C(=O)[O-])c1 ZINC000547568580 1010351519 /nfs/dbraw/zinc/35/15/19/1010351519.db2.gz PELIOUAJIJGLOB-ZDUSSCGKSA-N -2 3 402.299 3.524 20 0 HHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cc2nc(C(=O)[O-])cs2)cc1 ZINC000547882845 1010460542 /nfs/dbraw/zinc/46/05/42/1010460542.db2.gz PWLLBCAKZDLBPR-UHFFFAOYSA-N -2 3 406.460 3.680 20 0 HHADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000547937200 1010473772 /nfs/dbraw/zinc/47/37/72/1010473772.db2.gz XRVYRWWCCIXBFF-GFCCVEGCSA-N -2 3 421.824 3.896 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000548290700 1010582117 /nfs/dbraw/zinc/58/21/17/1010582117.db2.gz BVNSUGOZTGJRMB-CYBMUJFWSA-N -2 3 418.334 3.540 20 0 HHADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000548683900 1010704328 /nfs/dbraw/zinc/70/43/28/1010704328.db2.gz ILKUXHLSDPZBCI-CYBMUJFWSA-N -2 3 402.299 3.605 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C)c1C ZINC000522693429 1011161683 /nfs/dbraw/zinc/16/16/83/1011161683.db2.gz WQBVQSISSYIXEF-UHFFFAOYSA-N -2 3 403.378 3.830 20 0 HHADHL CC(=O)c1cccc(NC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)c1[O-] ZINC000552287060 1012298727 /nfs/dbraw/zinc/29/87/27/1012298727.db2.gz HDRGLFWCAUKUCS-UHFFFAOYSA-N -2 3 416.480 3.709 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)ccc1OCCCC(=O)[O-] ZINC000523871437 1012567960 /nfs/dbraw/zinc/56/79/60/1012567960.db2.gz MIOGLNDDGAHPQT-UHFFFAOYSA-N -2 3 415.414 3.641 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Sc3nnc(C)s3)cc2C)c1 ZINC000537196037 1012612202 /nfs/dbraw/zinc/61/22/02/1012612202.db2.gz NWKKWXMKNTXGIJ-UHFFFAOYSA-N -2 3 423.541 3.821 20 0 HHADHL Cc1cnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])s1 ZINC000011987321 962220376 /nfs/dbraw/zinc/22/03/76/962220376.db2.gz LMGUIVJRXQJKSM-UHFFFAOYSA-N -2 3 423.903 3.864 20 0 HHADHL CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(C3CCCCC3)s2)o1 ZINC000030571859 965734421 /nfs/dbraw/zinc/73/44/21/965734421.db2.gz ZTWSFLBZVQMLHY-UHFFFAOYSA-N -2 3 412.537 3.508 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COCc2ccco2)c1 ZINC000055633083 965978353 /nfs/dbraw/zinc/97/83/53/965978353.db2.gz XJGSSDRIARKZIU-UHFFFAOYSA-N -2 3 417.439 3.509 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000031668922 966080817 /nfs/dbraw/zinc/08/08/17/966080817.db2.gz NCZYGYDXMVEMBY-UHFFFAOYSA-N -2 3 414.439 3.732 20 0 HHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000064478050 967204322 /nfs/dbraw/zinc/20/43/22/967204322.db2.gz BSWGHDRGOQAQLZ-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Br)ccc2F)ccc1Cl ZINC000314382442 972638331 /nfs/dbraw/zinc/63/83/31/972638331.db2.gz UEPXFJCQVPBQPV-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)c1cccs1 ZINC000318752938 972664987 /nfs/dbraw/zinc/66/49/87/972664987.db2.gz BABDRLUVYUFHMI-JTQLQIEISA-N -2 3 424.725 3.658 20 0 HHADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000318605080 972665187 /nfs/dbraw/zinc/66/51/87/972665187.db2.gz UPDBWJKNILZVEQ-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1Cl ZINC000319682981 972673216 /nfs/dbraw/zinc/67/32/16/972673216.db2.gz IIVYXUIHQHUQRW-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000327064594 972753533 /nfs/dbraw/zinc/75/35/33/972753533.db2.gz CBSKGDABUYYSHP-VHSXEESVSA-N -2 3 401.834 3.917 20 0 HHADHL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000391663347 972843345 /nfs/dbraw/zinc/84/33/45/972843345.db2.gz LQGKYEOHJPIARM-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2Br)c1F ZINC000427328897 975056649 /nfs/dbraw/zinc/05/66/49/975056649.db2.gz IQHZYPSJTJGNOB-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccoc2Cl)c1 ZINC000434373218 980120759 /nfs/dbraw/zinc/12/07/59/980120759.db2.gz NNHBUELATSWIJM-UHFFFAOYSA-N -2 3 422.846 3.700 20 0 HHADHL CC1(C)[C@@H]2CN(C(=O)c3cc(S(=O)(=O)[N-]c4ccc(Cl)cc4)ccc3[O-])C[C@@H]21 ZINC000436592371 981464307 /nfs/dbraw/zinc/46/43/07/981464307.db2.gz UPGNWBMNUHHBQI-CALCHBBNSA-N -2 3 420.918 3.574 20 0 HHADHL COc1c(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1Cl ZINC000436629493 981483262 /nfs/dbraw/zinc/48/32/62/981483262.db2.gz VJBQSDIQOOAMTK-UHFFFAOYSA-N -2 3 406.243 3.515 20 0 HHADHL CCS(=O)(=O)[N-]c1ccc(NC(=O)c2ccc3ccccc3c2[O-])cc1OC ZINC000436684509 981510970 /nfs/dbraw/zinc/51/09/70/981510970.db2.gz BMMWLWVVRKGLHZ-UHFFFAOYSA-N -2 3 400.456 3.568 20 0 HHADHL O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-])c1ccccc1[O-] ZINC000436701637 981520881 /nfs/dbraw/zinc/52/08/81/981520881.db2.gz BHCQSVCHCFEMGQ-UHFFFAOYSA-N -2 3 418.858 3.804 20 0 HHADHL O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc([O-])c(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000436932995 981631890 /nfs/dbraw/zinc/63/18/90/981631890.db2.gz AMCJYQRKKUGSQO-INIZCTEOSA-N -2 3 421.862 3.748 20 0 HHADHL O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1)c1c([O-])cccc1F ZINC000436955337 981644389 /nfs/dbraw/zinc/64/43/89/981644389.db2.gz DSOQOJSMKWWBKW-UHFFFAOYSA-N -2 3 422.384 3.863 20 0 HHADHL Cc1ccc([N-]S(C)(=O)=O)c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000460830887 982580653 /nfs/dbraw/zinc/58/06/53/982580653.db2.gz JOPYCABURMAFGN-UHFFFAOYSA-N -2 3 415.345 3.536 20 0 HHADHL Cc1nc(C=Cc2cc(Cl)ccc2OC[C@H]2CCCO2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443442322 985602227 /nfs/dbraw/zinc/60/22/27/985602227.db2.gz LGJUHWQFNXCJEC-LWAXHKBTSA-N -2 3 418.877 3.889 20 0 HHADHL COc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1 ZINC000470264357 988212648 /nfs/dbraw/zinc/21/26/48/988212648.db2.gz PTPMYUBTSOXCOA-PKNBQFBNSA-N -2 3 406.438 3.876 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1Br ZINC000470437715 988408913 /nfs/dbraw/zinc/40/89/13/988408913.db2.gz YEVAOWKNCXLWQU-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1NC(=O)C(C)(C)C ZINC000466258066 991502886 /nfs/dbraw/zinc/50/28/86/991502886.db2.gz QQGCVOCFFMVNKQ-UHFFFAOYSA-N -2 3 404.488 3.787 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)cc1C(=O)[O-] ZINC000479456357 999425933 /nfs/dbraw/zinc/42/59/33/999425933.db2.gz MGKNZVIHJSLHJW-UHFFFAOYSA-N -2 3 409.435 3.588 20 0 HHADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2-c2cccnc2)[n-]c(=O)c1CC(=O)[O-] ZINC000504728768 1000344262 /nfs/dbraw/zinc/34/42/62/1000344262.db2.gz GTWSWCGAAQCMAZ-MDZDMXLPSA-N -2 3 413.437 3.536 20 0 HHADHL CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc3ccsc32)cc1F ZINC000498020013 1001608184 /nfs/dbraw/zinc/60/81/84/1001608184.db2.gz GNIZGAXHOFEDPY-UHFFFAOYSA-N -2 3 414.505 3.603 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1Br ZINC000507578370 1002183234 /nfs/dbraw/zinc/18/32/34/1002183234.db2.gz FDMNFLXMHWATDE-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000509074100 1003534268 /nfs/dbraw/zinc/53/42/68/1003534268.db2.gz GZNQLRFAPJEIAW-UHFFFAOYSA-N -2 3 403.378 3.668 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)oc2C)c1 ZINC000514892013 1006190500 /nfs/dbraw/zinc/19/05/00/1006190500.db2.gz DXWDEZGEFXGKGX-UHFFFAOYSA-N -2 3 416.455 3.664 20 0 HHADHL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2Cl)cc1OC ZINC000515163838 1006321378 /nfs/dbraw/zinc/32/13/78/1006321378.db2.gz NTJIFQQPRRNWRQ-UHFFFAOYSA-N -2 3 406.243 3.510 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)cc3[O-])cc2)cc1 ZINC000532012644 1006575547 /nfs/dbraw/zinc/57/55/47/1006575547.db2.gz FFWLJDFDYHLEAM-UHFFFAOYSA-N -2 3 400.431 3.893 20 0 HHADHL O=C([O-])c1c(F)cc(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1F ZINC000517212086 1007508879 /nfs/dbraw/zinc/50/88/79/1007508879.db2.gz CIOQDPOZPVBTCG-UHFFFAOYSA-N -2 3 402.227 3.510 20 0 HHADHL O=C(CC=C([O-])c1cc(Cl)sc1Cl)N=c1nc(-c2cccnc2)[n-]s1 ZINC000533781755 1008105193 /nfs/dbraw/zinc/10/51/93/1008105193.db2.gz AUZZJYDPQDILEH-UHFFFAOYSA-N -2 3 413.311 3.992 20 0 HHADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000544646239 1010271200 /nfs/dbraw/zinc/27/12/00/1010271200.db2.gz DFLPDFYHGGRADF-NSHDSACASA-N -2 3 403.378 3.649 20 0 HHADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccc(Oc2ccccc2)c1 ZINC000551029124 1010326628 /nfs/dbraw/zinc/32/66/28/1010326628.db2.gz TUTLBWPKTZTQBY-SFHVURJKSA-N -2 3 416.455 3.578 20 0 HHADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(Br)c1 ZINC000547878938 1010459630 /nfs/dbraw/zinc/45/96/30/1010459630.db2.gz AEASOWRMWXXVDC-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL O=C([O-])[C@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000547937753 1010474546 /nfs/dbraw/zinc/47/45/46/1010474546.db2.gz OURMULRYLKNEJY-CQSZACIVSA-N -2 3 410.225 3.517 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])s1 ZINC000548595695 1010675575 /nfs/dbraw/zinc/67/55/75/1010675575.db2.gz XXOWFBHIEDKJSO-MFKMUULPSA-N -2 3 418.334 3.559 20 0 HHADHL O=C([O-])[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)Cc1ccccc1 ZINC000548683903 1010704139 /nfs/dbraw/zinc/70/41/39/1010704139.db2.gz ILKUXHLSDPZBCI-ZDUSSCGKSA-N -2 3 402.299 3.605 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)ccc1OCC(=O)[O-] ZINC000522528717 1011064693 /nfs/dbraw/zinc/06/46/93/1011064693.db2.gz KZBRDYQHDVSFRK-UHFFFAOYSA-N -2 3 419.499 3.971 20 0 HHADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1c(F)ccc([O-])c1F ZINC000537217598 1012641409 /nfs/dbraw/zinc/64/14/09/1012641409.db2.gz LOFXLHCAWACYKG-UHFFFAOYSA-N -2 3 404.394 3.724 20 0 HHADHL O=S(=O)([N-]c1cc([O-])cc(F)c1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488234213 1072143672 /nfs/dbraw/zinc/14/36/72/1072143672.db2.gz NGBMQEMNOUZOLC-INIZCTEOSA-N -2 3 415.870 3.933 20 0 HHADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(Br)ccc2[O-])CC1 ZINC000055315401 965813161 /nfs/dbraw/zinc/81/31/61/965813161.db2.gz KTPKTZYIFISYQT-UHFFFAOYSA-N -2 3 404.260 3.595 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1OC1CCCC1 ZINC000032098568 966195178 /nfs/dbraw/zinc/19/51/78/966195178.db2.gz MVNRRQMQCGDDEY-UHFFFAOYSA-N -2 3 409.435 3.655 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-][N-]C(=O)CCCOc2ccc(Cl)cc2Cl)s1 ZINC000032531956 966278190 /nfs/dbraw/zinc/27/81/90/966278190.db2.gz SQNBUYVHHRIKDK-UHFFFAOYSA-N -2 3 423.343 3.532 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)ccc1OCC(=O)[O-] ZINC000063476603 966871308 /nfs/dbraw/zinc/87/13/08/966871308.db2.gz BVHOGNQVQCAFNI-UHFFFAOYSA-N -2 3 403.428 3.574 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1CC(=O)[O-] ZINC000538137372 1013699231 /nfs/dbraw/zinc/69/92/31/1013699231.db2.gz ISKITVBAYXSRBM-UHFFFAOYSA-N -2 3 413.451 3.915 20 0 HHADHL O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000064880733 967318741 /nfs/dbraw/zinc/31/87/41/967318741.db2.gz USFBPROTRSJZOS-UHFFFAOYSA-N -2 3 419.462 3.581 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)sc1Br ZINC000321374736 972690085 /nfs/dbraw/zinc/69/00/85/972690085.db2.gz OEUXNCVKNNUSEP-GFCCVEGCSA-N -2 3 418.334 3.703 20 0 HHADHL COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1Br ZINC000321617678 972693192 /nfs/dbraw/zinc/69/31/92/972693192.db2.gz WCSAILHTEPBXMF-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Br)c(F)cc1F ZINC000326323861 972741387 /nfs/dbraw/zinc/74/13/87/972741387.db2.gz WDHIYPHOXUQWRE-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2C=CCCC2)c1 ZINC000428014952 975387481 /nfs/dbraw/zinc/38/74/81/975387481.db2.gz BUCQASPYRUHLTC-HNNXBMFYSA-N -2 3 416.499 3.887 20 0 HHADHL CC[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436550451 981436621 /nfs/dbraw/zinc/43/66/21/981436621.db2.gz IIJGXNKZTBWVCX-HNNXBMFYSA-N -2 3 408.907 3.861 20 0 HHADHL C[C@@H]1[C@@H](C)CCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436560351 981443977 /nfs/dbraw/zinc/44/39/77/981443977.db2.gz BIGJPANPMONDGS-QWHCGFSZSA-N -2 3 408.907 3.717 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC[C@H]2CCC[C@@H]21 ZINC000436826718 981578243 /nfs/dbraw/zinc/57/82/43/981578243.db2.gz BQYRALOJADATRH-ACJLOTCBSA-N -2 3 420.918 3.861 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC(C2CCC2)C1 ZINC000436861527 981596157 /nfs/dbraw/zinc/59/61/57/981596157.db2.gz BYTKPPTYWXJMPQ-UHFFFAOYSA-N -2 3 420.918 3.719 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)c(F)c2)ccc1OCC(=O)[O-] ZINC000460830874 982580590 /nfs/dbraw/zinc/58/05/90/982580590.db2.gz JIXKPRFNRYFYTQ-UHFFFAOYSA-N -2 3 423.462 3.720 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cnc4ccsc4c3)c2)n1 ZINC000439565775 983452582 /nfs/dbraw/zinc/45/25/82/983452582.db2.gz DUXFUKDXFRRVNU-UHFFFAOYSA-N -2 3 412.496 3.822 20 0 HHADHL Cc1nc(C=Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443442318 985602507 /nfs/dbraw/zinc/60/25/07/985602507.db2.gz LGJUHWQFNXCJEC-FAOGRTBUSA-N -2 3 418.877 3.889 20 0 HHADHL O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)c1cc(=O)c2ccccc2[n-]1 ZINC000444353710 986536529 /nfs/dbraw/zinc/53/65/29/986536529.db2.gz RQASOXQEOFOAAS-UHFFFAOYSA-N -2 3 405.454 3.549 20 0 HHADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OCc1ccccc1 ZINC000470264608 988212887 /nfs/dbraw/zinc/21/28/87/988212887.db2.gz QPEALMAZWHFZGU-LUAWRHEFSA-N -2 3 406.438 3.876 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1Br ZINC000470439070 988411689 /nfs/dbraw/zinc/41/16/89/988411689.db2.gz SNQMWODBCCMIJE-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)c(Cl)c1 ZINC000489726937 999825736 /nfs/dbraw/zinc/82/57/36/999825736.db2.gz IFROZMVSXXCIHF-UHFFFAOYSA-N -2 3 418.254 3.654 20 0 HHADHL Cc1nc(C=Cc2cccc(Br)c2OC(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504730669 1000345269 /nfs/dbraw/zinc/34/52/69/1000345269.db2.gz NHBHUJYCSRRWFJ-WAYWQWQTSA-N -2 3 415.190 3.652 20 0 HHADHL CC[C@@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000505753882 1001006941 /nfs/dbraw/zinc/00/69/41/1001006941.db2.gz ZUEMOOFIBZTBIE-KGLIPLIRSA-N -2 3 406.504 3.822 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cc([N-]S(=O)(=O)c3ccsc3)ccc2C)c1 ZINC000506559907 1001459243 /nfs/dbraw/zinc/45/92/43/1001459243.db2.gz HFKJQQSJPSNZBD-UHFFFAOYSA-N -2 3 422.553 3.967 20 0 HHADHL O=S(=O)([N-]c1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1)c1ccsc1 ZINC000506732246 1001508309 /nfs/dbraw/zinc/50/83/09/1001508309.db2.gz VKVBMNFRFRJVNX-UHFFFAOYSA-N -2 3 418.518 3.550 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2NC(C)C)c(C)c1OCC(=O)[O-] ZINC000498021745 1001609099 /nfs/dbraw/zinc/60/90/99/1001609099.db2.gz HLXISUYHAUKWAB-UHFFFAOYSA-N -2 3 410.467 3.527 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CC(C)(C)O3)cc(C(=O)[O-])c1C ZINC000507596880 1002203931 /nfs/dbraw/zinc/20/39/31/1002203931.db2.gz QEILIBTULVALBB-UHFFFAOYSA-N -2 3 403.456 3.546 20 0 HHADHL O=S(=O)([N-]c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1)c1ccccc1 ZINC000511125723 1005032182 /nfs/dbraw/zinc/03/21/82/1005032182.db2.gz ZTWWAIIVOXBFIT-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccccc3)c2)cc1F ZINC000515618684 1006562081 /nfs/dbraw/zinc/56/20/81/1006562081.db2.gz HCDPKDZUULTOPD-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CC[C@@H](C)C2)c1 ZINC000532091958 1006627118 /nfs/dbraw/zinc/62/71/18/1006627118.db2.gz LDOYPFFPSQLPLT-HUUCEWRRSA-N -2 3 418.515 3.966 20 0 HHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(COc3ccccc3)cc2)cc1 ZINC000539118404 1007406536 /nfs/dbraw/zinc/40/65/36/1007406536.db2.gz DEPRYMOKVWVPTQ-UHFFFAOYSA-N -2 3 413.451 3.530 20 0 HHADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2sc(-c3ccccc3)nc2C)ccc1[O-] ZINC000544093095 1009701580 /nfs/dbraw/zinc/70/15/80/1009701580.db2.gz DMKIENUFRKRAMH-UHFFFAOYSA-N -2 3 403.485 3.583 20 0 HHADHL COc1ccc([C@H](CCC(=O)[O-])[N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000547891059 1010462223 /nfs/dbraw/zinc/46/22/23/1010462223.db2.gz POCHTPAMYAUSHJ-NSHDSACASA-N -2 3 424.327 3.948 20 0 HHADHL Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000547938278 1010474611 /nfs/dbraw/zinc/47/46/11/1010474611.db2.gz PIJTWMQPPSWLGN-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000548198541 1010559549 /nfs/dbraw/zinc/55/95/49/1010559549.db2.gz WJKFBHJMSBIUSD-UHFFFAOYSA-N -3 3 405.472 3.798 20 0 HHADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000536558330 1011728334 /nfs/dbraw/zinc/72/83/34/1011728334.db2.gz LTLROSYEZMRRBQ-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)c1 ZINC000537196364 1012612836 /nfs/dbraw/zinc/61/28/36/1012612836.db2.gz KYPKWOSBRBVVFZ-UHFFFAOYSA-N -2 3 409.529 3.614 20 0 HHADHL COc1ccc([O-])c(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c1 ZINC000537367312 1012838548 /nfs/dbraw/zinc/83/85/48/1012838548.db2.gz DTJPEFUCGURFBV-UHFFFAOYSA-N -2 3 421.331 3.556 20 0 HHADHL CCCCc1ccc(N2C(=O)CC(N(C)Cc3nc(=O)c4sccc4[n-]3)=C2[O-])cc1 ZINC000913099375 1072329264 /nfs/dbraw/zinc/32/92/64/1072329264.db2.gz HWOHCNVMDWNQNY-QGZVFWFLSA-N -2 3 424.526 3.503 20 0 HHADHL CCOc1cc(Br)c(F)cc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000571012682 1072545531 /nfs/dbraw/zinc/54/55/31/1072545531.db2.gz SRMGTQDNZWOFMC-UHFFFAOYSA-N -2 3 420.256 3.502 20 0 HHADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c(C)c1C ZINC000571596101 1072673999 /nfs/dbraw/zinc/67/39/99/1072673999.db2.gz OIBCCALNUNURLT-UHFFFAOYSA-N -2 3 421.515 3.973 20 0 HHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCCC3)cc2)cc1 ZINC000013196231 962376619 /nfs/dbraw/zinc/37/66/19/962376619.db2.gz RZVWFXJAPCKNNY-UHFFFAOYSA-N -2 3 402.516 3.885 20 0 HHADHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])cc1 ZINC000013317502 962387439 /nfs/dbraw/zinc/38/74/39/962387439.db2.gz YPHBSYLRWOQIPN-HNNXBMFYSA-N -2 3 418.515 3.536 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(NC(=O)c3cccs3)c2)c1 ZINC000538295736 1013830545 /nfs/dbraw/zinc/83/05/45/1013830545.db2.gz GFJGNUSQBUGLSU-UHFFFAOYSA-N -2 3 404.469 3.515 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1Br ZINC000115784467 969853408 /nfs/dbraw/zinc/85/34/08/969853408.db2.gz GRMLZTAJIIPULM-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Br)CC(=O)[O-] ZINC000554705140 1014022691 /nfs/dbraw/zinc/02/26/91/1014022691.db2.gz IIRRYTBDUOYXMR-VIFPVBQESA-N -2 3 412.733 3.518 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)sc1Br ZINC000321374739 972690191 /nfs/dbraw/zinc/69/01/91/972690191.db2.gz OEUXNCVKNNUSEP-LBPRGKRZSA-N -2 3 418.334 3.703 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cc(Br)cc1C ZINC000323948302 972717028 /nfs/dbraw/zinc/71/70/28/972717028.db2.gz MZHOTJYOINTUIU-UHFFFAOYSA-N -2 3 414.277 3.579 20 0 HHADHL CCc1cccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000433491626 979334599 /nfs/dbraw/zinc/33/45/99/979334599.db2.gz AJHLIUVUJCSEDJ-UHFFFAOYSA-N -2 3 416.524 3.851 20 0 HHADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000436474199 981392342 /nfs/dbraw/zinc/39/23/42/981392342.db2.gz DENGZXKBMUWKNL-UHFFFAOYSA-N -2 3 410.662 3.940 20 0 HHADHL O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478613 981394819 /nfs/dbraw/zinc/39/48/19/981394819.db2.gz MYZIVWRRIKWPPU-UHFFFAOYSA-N -2 3 411.361 3.794 20 0 HHADHL C[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])[C@@H]1C ZINC000436560349 981444171 /nfs/dbraw/zinc/44/41/71/981444171.db2.gz BIGJPANPMONDGS-CHWSQXEVSA-N -2 3 408.907 3.717 20 0 HHADHL CN(CCC1CC1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436602335 981469153 /nfs/dbraw/zinc/46/91/53/981469153.db2.gz LDRXIDSVGKUNSX-UHFFFAOYSA-N -2 3 408.907 3.719 20 0 HHADHL CCN(CC(C)(C)C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436669837 981502550 /nfs/dbraw/zinc/50/25/50/981502550.db2.gz BPZOEKCVUYSJBF-UHFFFAOYSA-N -2 3 420.531 3.710 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCc3ccncc3)cc2)cc1Cl ZINC000438758372 983050147 /nfs/dbraw/zinc/05/01/47/983050147.db2.gz NRMSRTQNLYCNNO-UHFFFAOYSA-N -2 3 418.858 3.813 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1Cl ZINC000438794447 983075464 /nfs/dbraw/zinc/07/54/64/983075464.db2.gz SDQNICNDDKQOHH-MRXNPFEDSA-N -2 3 421.862 3.567 20 0 HHADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(OCc2cccnc2)c1 ZINC000443441799 985601276 /nfs/dbraw/zinc/60/12/76/985601276.db2.gz BMWISFKODXEUNI-TWGQIWQCSA-N -2 3 421.453 3.661 20 0 HHADHL Cc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc(C)c1OCc1ccccn1 ZINC000470260300 988207261 /nfs/dbraw/zinc/20/72/61/988207261.db2.gz AUGODBZUSIKBPK-BQYQJAHWSA-N -2 3 405.454 3.879 20 0 HHADHL Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474448478 995410538 /nfs/dbraw/zinc/41/05/38/995410538.db2.gz SIRFTEPYIKIIBG-UHFFFAOYSA-N -2 3 402.813 3.622 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3cccnc3)ccc2C)cc1C(=O)[O-] ZINC000475823518 996393957 /nfs/dbraw/zinc/39/39/57/996393957.db2.gz DCCNQKBGIMILMI-UHFFFAOYSA-N -2 3 412.467 3.955 20 0 HHADHL CSc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1Cl ZINC000476411505 996872252 /nfs/dbraw/zinc/87/22/52/996872252.db2.gz YDOMYZHESHOTJS-UHFFFAOYSA-N -2 3 401.893 3.635 20 0 HHADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1F ZINC000479466826 999430034 /nfs/dbraw/zinc/43/00/34/999430034.db2.gz JQGZTPKJSBTNLS-UHFFFAOYSA-N -2 3 409.435 3.588 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2cc(Br)c(F)cc2C)cc1C(=O)[O-] ZINC000480201615 999743633 /nfs/dbraw/zinc/74/36/33/999743633.db2.gz STOQDOBYCZGBLU-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1nc(C=Cc2cc(Br)ccc2OC(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000504733094 1000346794 /nfs/dbraw/zinc/34/67/94/1000346794.db2.gz TVSNQCPKFLMCQC-DJWKRKHSSA-N -2 3 415.190 3.652 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C)c([N-]S(=O)(=O)c3ccsc3)c2)c1 ZINC000506600258 1001467820 /nfs/dbraw/zinc/46/78/20/1001467820.db2.gz JPFPLXCNNFFUBQ-UHFFFAOYSA-N -2 3 422.553 3.967 20 0 HHADHL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000500361092 1003659230 /nfs/dbraw/zinc/65/92/30/1003659230.db2.gz NQYRAEMYYUDFST-GFCCVEGCSA-N -2 3 413.879 3.782 20 0 HHADHL CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2-c2ccccc2)c(F)c1 ZINC000511299840 1005114554 /nfs/dbraw/zinc/11/45/54/1005114554.db2.gz IQWOCOMIVUGOEM-UHFFFAOYSA-N -2 3 420.487 3.665 20 0 HHADHL O=S(=O)([N-]c1ccc(F)cc1)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000511686655 1005276655 /nfs/dbraw/zinc/27/66/55/1005276655.db2.gz HSGYBLRYEDMPJG-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL O=C(Nc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1)c1ccc(F)cc1 ZINC000504229341 1005577902 /nfs/dbraw/zinc/57/79/02/1005577902.db2.gz GKPMQGAXRHKBIM-UHFFFAOYSA-N -2 3 404.394 3.724 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000504377477 1005611901 /nfs/dbraw/zinc/61/19/01/1005611901.db2.gz XTSDHTXHHMKOFJ-HUUCEWRRSA-N -2 3 418.515 3.605 20 0 HHADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2[O-])cc1 ZINC000531755857 1006398993 /nfs/dbraw/zinc/39/89/93/1006398993.db2.gz JDDGHENFFSCLQP-UHFFFAOYSA-N -2 3 400.431 3.893 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccccc3)c2)c(C)s1 ZINC000515628911 1006566611 /nfs/dbraw/zinc/56/66/11/1006566611.db2.gz RTDFTHHEINEYAH-UHFFFAOYSA-N -2 3 422.553 3.967 20 0 HHADHL O=C([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000534973123 1007030178 /nfs/dbraw/zinc/03/01/78/1007030178.db2.gz VDMXNFIJCKADFY-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncc4ccccc43)cc2)cc1 ZINC000539400502 1007708178 /nfs/dbraw/zinc/70/81/78/1007708178.db2.gz LXJQCIILRVLGCX-UHFFFAOYSA-N -2 3 421.478 3.844 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(F)cc1Br ZINC000518430479 1008302193 /nfs/dbraw/zinc/30/21/93/1008302193.db2.gz VDKFCGQCWLQBSV-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1nc(CCC[N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)sc1C(=O)[O-] ZINC000547558982 1010349092 /nfs/dbraw/zinc/34/90/92/1010349092.db2.gz SDHMTSLVHYDDJE-UHFFFAOYSA-N -2 3 423.343 3.676 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(Cl)c2)s1 ZINC000547579425 1010353922 /nfs/dbraw/zinc/35/39/22/1010353922.db2.gz PTQTXAMRTFXKCN-LLVKDONJSA-N -2 3 424.725 3.577 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(Cl)c2)sc1Br ZINC000547612343 1010363695 /nfs/dbraw/zinc/36/36/95/1010363695.db2.gz HEEYZKHMXMSUCJ-NSHDSACASA-N -2 3 424.725 3.577 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2c(C)cc(C)c(CC(=O)[O-])c2C)cc1OC(C)C ZINC000544847004 1010432648 /nfs/dbraw/zinc/43/26/48/1010432648.db2.gz HBLDKNVRRDKKEF-UHFFFAOYSA-N -2 3 421.515 3.836 20 0 HHADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000547916552 1010469706 /nfs/dbraw/zinc/46/97/06/1010469706.db2.gz REYZHPZAIUJQOL-UHFFFAOYSA-N -2 3 407.797 3.578 20 0 HHADHL Cc1ccc(Br)c(S(=O)(=O)[N-]c2c(Cl)cccc2C(=O)[O-])c1 ZINC000548196103 1010558892 /nfs/dbraw/zinc/55/88/92/1010558892.db2.gz WNYIYGOCGCBIBU-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)s1 ZINC000548204214 1010560440 /nfs/dbraw/zinc/56/04/40/1010560440.db2.gz RNIUAFBLPPFWSQ-CYBMUJFWSA-N -2 3 418.334 3.703 20 0 HHADHL CCCCN(C)C(=O)c1ccccc1S(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-] ZINC000548527722 1010656642 /nfs/dbraw/zinc/65/66/42/1010656642.db2.gz YUZXLIDTNPNPOM-UHFFFAOYSA-N -2 3 424.906 3.711 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)N2CCCCC[C@H]2C)c1 ZINC000548605637 1010679474 /nfs/dbraw/zinc/67/94/74/1010679474.db2.gz ZLNREGCYQQMFKT-OAHLLOKOSA-N -2 3 418.515 3.606 20 0 HHADHL O=C([O-])CCCc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000536199438 1011343870 /nfs/dbraw/zinc/34/38/70/1011343870.db2.gz UUYOAWNNPVMRJO-UHFFFAOYSA-N -2 3 403.378 3.793 20 0 HHADHL O=C([O-])c1ccccc1CC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000551910288 1012021712 /nfs/dbraw/zinc/02/17/12/1012021712.db2.gz PKIPIVFUCFVILI-UHFFFAOYSA-N -2 3 407.797 3.578 20 0 HHADHL CC[C@H](C)CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000552138994 1012159309 /nfs/dbraw/zinc/15/93/09/1012159309.db2.gz OXVONWDRRRAGJK-AWEZNQCLSA-N -2 3 406.504 3.966 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)cc1 ZINC000614865729 1071830489 /nfs/dbraw/zinc/83/04/89/1071830489.db2.gz NMQHTEAFCFZTIR-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c1 ZINC000588833015 1073317625 /nfs/dbraw/zinc/31/76/25/1073317625.db2.gz CGWAVVOFUIPYKB-HNNXBMFYSA-N -2 3 407.488 3.747 20 0 HHADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(CCc2ccccc2)ccc1[O-] ZINC000591829969 1074577596 /nfs/dbraw/zinc/57/75/96/1074577596.db2.gz DQVLAIOOVFYZMN-UHFFFAOYSA-N -2 3 401.422 3.773 20 0 HHADHL Cc1nc(-c2ccc(NC(=O)N[C@H](C(=O)[O-])c3ccc(F)c(C)c3)cc2)cc(=O)[n-]1 ZINC000565517821 939349186 /nfs/dbraw/zinc/34/91/86/939349186.db2.gz OAIICUWZXKGSLI-IBGZPJMESA-N -2 3 410.405 3.553 20 0 HHADHL CN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])c1nccs1 ZINC000537641512 1013200536 /nfs/dbraw/zinc/20/05/36/1013200536.db2.gz SUVRDMZQBBSLBP-UHFFFAOYSA-N -2 3 423.903 3.580 20 0 HHADHL COc1ccc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)cc1CC(=O)[O-] ZINC000013066836 962362836 /nfs/dbraw/zinc/36/28/36/962362836.db2.gz HSVCNUGXZWVSSW-HWKANZROSA-N -2 3 421.243 3.695 20 0 HHADHL CC1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])CC1 ZINC000014050253 962410917 /nfs/dbraw/zinc/41/09/17/962410917.db2.gz TZQMKBBCAJVZFG-UHFFFAOYSA-N -2 3 408.907 3.719 20 0 HHADHL O=C([N-][N-]S(=O)(=O)c1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000016154327 962966371 /nfs/dbraw/zinc/96/63/71/962966371.db2.gz FLWOSYWXEXFNHC-UHFFFAOYSA-N -2 3 403.331 3.519 20 0 HHADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000045866096 967579462 /nfs/dbraw/zinc/57/94/62/967579462.db2.gz STCQXKCHVAMQHI-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000318510372 972663825 /nfs/dbraw/zinc/66/38/25/972663825.db2.gz ATTSSNMMBXCUTA-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000318680873 972665214 /nfs/dbraw/zinc/66/52/14/972665214.db2.gz ASMBIILBFAKGFB-SECBINFHSA-N -2 3 412.733 3.660 20 0 HHADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(Br)cc1F ZINC000319092388 972669435 /nfs/dbraw/zinc/66/94/35/972669435.db2.gz NJWSWWODKZXWJD-UHFFFAOYSA-N -2 3 408.270 3.766 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cc1C(=O)[O-] ZINC000324031594 972718655 /nfs/dbraw/zinc/71/86/55/972718655.db2.gz OWTHHJJORJJPHQ-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000325268434 972730773 /nfs/dbraw/zinc/73/07/73/972730773.db2.gz GTTWNPRKFHJHIO-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(Br)cc2Cl)cs1 ZINC000410395493 973993969 /nfs/dbraw/zinc/99/39/69/973993969.db2.gz CIRJVHDZQFXCFF-UHFFFAOYSA-N -2 3 414.661 3.802 20 0 HHADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)CCCCC1 ZINC000427242085 975000528 /nfs/dbraw/zinc/00/05/28/975000528.db2.gz HCJKRAKTUXCAKR-UHFFFAOYSA-N -2 3 424.302 3.557 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2C)cc1C(=O)[O-] ZINC000427344379 975066887 /nfs/dbraw/zinc/06/68/87/975066887.db2.gz IHTLRGIMKPBGIA-UHFFFAOYSA-N -2 3 402.428 3.548 20 0 HHADHL CCCCc1nc2cc([N-]S(=O)(=O)c3ccc(CCC(=O)[O-])cc3)ccc2[nH]1 ZINC000433808116 979589896 /nfs/dbraw/zinc/58/98/96/979589896.db2.gz BFKGKHTYSFXSJS-UHFFFAOYSA-N -2 3 401.488 3.724 20 0 HHADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1[O-] ZINC000436476088 981393230 /nfs/dbraw/zinc/39/32/30/981393230.db2.gz HWDIWINREDTBFI-UHFFFAOYSA-N -3 3 409.769 3.872 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)c3c([O-])cccc3F)cc2)cc1 ZINC000436667624 981500684 /nfs/dbraw/zinc/50/06/84/981500684.db2.gz XXENKLWLVUPXNV-UHFFFAOYSA-N -2 3 400.431 3.893 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CCCC2(CC2)C1 ZINC000436931759 981630963 /nfs/dbraw/zinc/63/09/63/981630963.db2.gz KKXWXPHBJNCMDZ-UHFFFAOYSA-N -2 3 420.918 3.863 20 0 HHADHL CC(C)CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)cc1 ZINC000469185969 986910101 /nfs/dbraw/zinc/91/01/01/986910101.db2.gz KZUPPLXFZBGDPK-UHFFFAOYSA-N -2 3 419.499 3.960 20 0 HHADHL Cc1nc(C=Cc2cn(-c3ccccc3)nc2-c2ccncc2)[n-]c(=O)c1CC(=O)[O-] ZINC000470265534 988214636 /nfs/dbraw/zinc/21/46/36/988214636.db2.gz VJIJYWNIYVVFQS-BQYQJAHWSA-N -2 3 413.437 3.536 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@@](=O)C(C)(C)C)c2)cc(C(=O)[O-])c1C ZINC000471110363 989212869 /nfs/dbraw/zinc/21/28/69/989212869.db2.gz PIPSHJSFLCSDRQ-HHHXNRCGSA-N -2 3 423.556 3.850 20 0 HHADHL COc1ccccc1Oc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000481974041 994866882 /nfs/dbraw/zinc/86/68/82/994866882.db2.gz RSBVPMFNDYKTJT-UHFFFAOYSA-N -2 3 413.451 3.915 20 0 HHADHL Cc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])cc3)c2)o1 ZINC000475833082 996401471 /nfs/dbraw/zinc/40/14/71/996401471.db2.gz QMOKMUNTBBGNEJ-UHFFFAOYSA-N -2 3 401.440 3.828 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2C)cc1 ZINC000476283994 996730549 /nfs/dbraw/zinc/73/05/49/996730549.db2.gz OOXXBWAOJPVDNK-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1 ZINC000476390927 996839643 /nfs/dbraw/zinc/83/96/43/996839643.db2.gz OVWHOHPMBHHTDN-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL CCc1c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cnn1-c1ccccc1Cl ZINC000480232111 999751802 /nfs/dbraw/zinc/75/18/02/999751802.db2.gz XERMCLRMZZAXCN-UHFFFAOYSA-N -2 3 407.879 3.603 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1C(C)C ZINC000504507619 1000240475 /nfs/dbraw/zinc/24/04/75/1000240475.db2.gz KHBAJEUHJVSIKH-UHFFFAOYSA-N -2 3 407.488 3.781 20 0 HHADHL COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)c2)cn1 ZINC000507937868 1002471445 /nfs/dbraw/zinc/47/14/45/1002471445.db2.gz UUWPWACHOJIIRH-UHFFFAOYSA-N -2 3 412.467 3.873 20 0 HHADHL Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3C)cc2F)n1 ZINC000512767760 1004547911 /nfs/dbraw/zinc/54/79/11/1004547911.db2.gz UNGNPTVNBWIYKS-UHFFFAOYSA-N -2 3 417.462 3.744 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Br)c2)c(C)c1C(=O)[O-] ZINC000512776817 1004553580 /nfs/dbraw/zinc/55/35/80/1004553580.db2.gz UNXCVHLEPCATJG-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)CSC)c1 ZINC000503533193 1005445667 /nfs/dbraw/zinc/44/56/67/1005445667.db2.gz GLYVJADTKCBTHO-UHFFFAOYSA-N -2 3 424.544 3.529 20 0 HHADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000533159013 1007496816 /nfs/dbraw/zinc/49/68/16/1007496816.db2.gz CUKLPIQCOCOIRI-UHFFFAOYSA-N -2 3 409.876 3.555 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccn(-c3ccc(Cl)cc3Cl)n2)c1 ZINC000539398582 1007706279 /nfs/dbraw/zinc/70/62/79/1007706279.db2.gz LJSQRHSEZYJEQX-UHFFFAOYSA-N -2 3 414.270 3.694 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC[C@@H](C)C2)c1 ZINC000539562417 1007876448 /nfs/dbraw/zinc/87/64/48/1007876448.db2.gz GQESXDGEVMZCDK-KGLIPLIRSA-N -2 3 404.488 3.576 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)cc1CC(=O)[O-] ZINC000540339925 1008388310 /nfs/dbraw/zinc/38/83/10/1008388310.db2.gz HFLKADDYEOFUBS-UHFFFAOYSA-N -2 3 409.463 3.694 20 0 HHADHL C[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000543650803 1009255399 /nfs/dbraw/zinc/25/53/99/1009255399.db2.gz DAXHMEAKHGAYDW-LBPRGKRZSA-N -2 3 417.405 3.692 20 0 HHADHL C[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)C(=O)[O-] ZINC000544646238 1010271659 /nfs/dbraw/zinc/27/16/59/1010271659.db2.gz DFLPDFYHGGRADF-LLVKDONJSA-N -2 3 403.378 3.649 20 0 HHADHL O=C([O-])[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)Cc1ccccc1 ZINC000547700949 1010395064 /nfs/dbraw/zinc/39/50/64/1010395064.db2.gz MWGCANDTBDDQJD-CYBMUJFWSA-N -2 3 402.299 3.605 20 0 HHADHL Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3[O-])cs2)c1 ZINC000544878621 1010458173 /nfs/dbraw/zinc/45/81/73/1010458173.db2.gz ILHPIMIZWVKXHR-UHFFFAOYSA-N -2 3 417.874 3.950 20 0 HHADHL COc1cccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000547916737 1010469285 /nfs/dbraw/zinc/46/92/85/1010469285.db2.gz MLUZQCNLKOJCKJ-JTQLQIEISA-N -2 3 410.300 3.558 20 0 HHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2c(F)cccc2F)c1Cl ZINC000547934035 1010472723 /nfs/dbraw/zinc/47/27/23/1010472723.db2.gz ZWMFTVUUSSKSKF-CYBMUJFWSA-N -2 3 410.225 3.684 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCCCC[C@@H]2C(=O)[O-])s1 ZINC000548569393 1010668938 /nfs/dbraw/zinc/66/89/38/1010668938.db2.gz KRNXZTBWOOLRIK-JQWIXIFHSA-N -2 3 410.355 3.521 20 0 HHADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)c(F)c1 ZINC000548596158 1010675598 /nfs/dbraw/zinc/67/55/98/1010675598.db2.gz HVRXRKRXRDVOJQ-JTQLQIEISA-N -2 3 418.682 3.952 20 0 HHADHL Cc1csc(-c2cccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(O)cc3C)c2)n1 ZINC000523286864 1011766635 /nfs/dbraw/zinc/76/66/35/1011766635.db2.gz TVEPGMOJBAEMKW-UHFFFAOYSA-N -2 3 404.469 3.632 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c(C)c1CC(=O)[O-] ZINC000542005821 1012887666 /nfs/dbraw/zinc/88/76/66/1012887666.db2.gz RIVMJTIIXCFNSA-UHFFFAOYSA-N -2 3 403.500 3.829 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)ccc1F ZINC000591796864 1074546204 /nfs/dbraw/zinc/54/62/04/1074546204.db2.gz LFXQAPHTOQYCPD-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL Cc1nc(-c2ccc(NC(=O)N[C@@H](C(=O)[O-])c3cccc(C)c3C)cc2)cc(=O)[n-]1 ZINC000566833473 939357538 /nfs/dbraw/zinc/35/75/38/939357538.db2.gz GCFYFFYTGFKNGT-HXUWFJFHSA-N -2 3 406.442 3.722 20 0 HHADHL Cc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])n1 ZINC000010431201 961821070 /nfs/dbraw/zinc/82/10/70/961821070.db2.gz ZGYSXKMTJGYVAT-UHFFFAOYSA-N -2 3 417.874 3.802 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)ccc1Cl ZINC000010516273 961837419 /nfs/dbraw/zinc/83/74/19/961837419.db2.gz BOXCLVGHPMZKBJ-UHFFFAOYSA-N -2 3 409.769 3.780 20 0 HHADHL O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000016097056 962943062 /nfs/dbraw/zinc/94/30/62/962943062.db2.gz VNNSFFZYPHTUFH-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL CCOc1cc(/C=C/C(=O)c2cccc(OCC(=O)[O-])c2)cc(Br)c1[O-] ZINC000057904078 965579755 /nfs/dbraw/zinc/57/97/55/965579755.db2.gz RRRLGVVKQZDYOU-VOTSOKGWSA-N -2 3 421.243 3.913 20 0 HHADHL CC(=O)Nc1c(C)ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)c1C ZINC000055674088 966010602 /nfs/dbraw/zinc/01/06/02/966010602.db2.gz UAVMANGQXBVUGS-UHFFFAOYSA-N -2 3 416.499 3.640 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000060274917 966083391 /nfs/dbraw/zinc/08/33/91/966083391.db2.gz IXBJJURYDZCCFC-UHFFFAOYSA-N -2 3 417.487 3.594 20 0 HHADHL N#C[C@@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000032631283 966298118 /nfs/dbraw/zinc/29/81/18/966298118.db2.gz NUICCGNSGQTDOX-SFHVURJKSA-N -2 3 409.423 3.757 20 0 HHADHL O=S(=O)([N-]c1ccccc1)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000035683770 966423136 /nfs/dbraw/zinc/42/31/36/966423136.db2.gz IBYBHPIYOWTCET-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCCC3)cc2)cc1CC(=O)[O-] ZINC000538087247 1013659861 /nfs/dbraw/zinc/65/98/61/1013659861.db2.gz HGAMZILPJDJTIR-UHFFFAOYSA-N -2 3 419.499 3.835 20 0 HHADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1C ZINC000065080029 967368811 /nfs/dbraw/zinc/36/88/11/967368811.db2.gz RVWJUSOQRVOUNW-UHFFFAOYSA-N -2 3 420.556 3.610 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1F ZINC000071974503 968917535 /nfs/dbraw/zinc/91/75/35/968917535.db2.gz QLKVADFEUBWDIB-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL C=CCn1c(Cc2csc(NC(=O)c3c([O-])cccc3Cl)n2)n[n-]c1=S ZINC000146662774 970305627 /nfs/dbraw/zinc/30/56/27/970305627.db2.gz AZAPSJQHYAYULV-UHFFFAOYSA-N -2 3 407.908 3.785 20 0 HHADHL COc1ccccc1-c1n[n-]c(=S)n1N=Cc1cc(Br)ccc1[O-] ZINC000254522911 970574436 /nfs/dbraw/zinc/57/44/36/970574436.db2.gz OSTINOXACDEQRB-UHFFFAOYSA-N -2 3 405.277 3.967 20 0 HHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Br)c1 ZINC000322636138 972701737 /nfs/dbraw/zinc/70/17/37/972701737.db2.gz UFCMRUYWVMXHEC-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c(C)c1CC(=O)[O-] ZINC000326214863 972739837 /nfs/dbraw/zinc/73/98/37/972739837.db2.gz YIOXCFWREBXQLZ-UHFFFAOYSA-N -2 3 412.305 3.802 20 0 HHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1Br ZINC000326692251 972746852 /nfs/dbraw/zinc/74/68/52/972746852.db2.gz KKQWTYKCJRSHDU-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL CCC(C)(C)OCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000425989701 974101654 /nfs/dbraw/zinc/10/16/54/974101654.db2.gz LZWSAPZZVFLPRH-UHFFFAOYSA-N -2 3 421.515 3.964 20 0 HHADHL Cc1c(Br)ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1F ZINC000432644189 978923466 /nfs/dbraw/zinc/92/34/66/978923466.db2.gz RXLRQFAEWREHKT-UHFFFAOYSA-N -2 3 416.268 3.715 20 0 HHADHL COc1cc(C)c([N-]S(=O)(=O)c2cc(Br)cc(C(=O)[O-])c2)cc1C ZINC000435730547 981006428 /nfs/dbraw/zinc/00/64/28/981006428.db2.gz FIHUWWSSTJDAGD-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL CCN(C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])C1CCC1 ZINC000436534956 981425830 /nfs/dbraw/zinc/42/58/30/981425830.db2.gz JNWKWJQIELYBKD-UHFFFAOYSA-N -2 3 408.907 3.861 20 0 HHADHL C[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C[C@@H]1C ZINC000436575940 981454931 /nfs/dbraw/zinc/45/49/31/981454931.db2.gz POENRNKHDUNDMC-STQMWFEESA-N -2 3 408.907 3.574 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1C[C@@H]2CCC[C@H]2C1 ZINC000436584441 981460075 /nfs/dbraw/zinc/46/00/75/981460075.db2.gz PVCUGERYGLFOEC-KBPBESRZSA-N -2 3 420.918 3.719 20 0 HHADHL CC(C)[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436658516 981496086 /nfs/dbraw/zinc/49/60/86/981496086.db2.gz LWIRUCAAHKAWOW-CYBMUJFWSA-N -2 3 410.923 3.963 20 0 HHADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-] ZINC000436740703 981540177 /nfs/dbraw/zinc/54/01/77/981540177.db2.gz RGWSALJQEWLSKD-UHFFFAOYSA-N -3 3 424.887 3.866 20 0 HHADHL COc1cc(NC(=O)c2cc(Cl)c3ccccc3c2[O-])ccc1[N-]S(C)(=O)=O ZINC000436758442 981549278 /nfs/dbraw/zinc/54/92/78/981549278.db2.gz YZKPGQYBFUABSG-UHFFFAOYSA-N -2 3 420.874 3.831 20 0 HHADHL CN(Cc1ccoc1)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436815163 981573311 /nfs/dbraw/zinc/57/33/11/981573311.db2.gz UYNQZGDDXWTYOJ-UHFFFAOYSA-N -2 3 420.874 3.712 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC[C@H]2CCC[C@H]21 ZINC000436826719 981578432 /nfs/dbraw/zinc/57/84/32/981578432.db2.gz BQYRALOJADATRH-FZKQIMNGSA-N -2 3 420.918 3.861 20 0 HHADHL C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436988486 981670652 /nfs/dbraw/zinc/67/06/52/981670652.db2.gz LJKJXVVCMIMECE-CYBMUJFWSA-N -2 3 408.907 3.861 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)ccc1OCCCC(=O)[O-] ZINC000442255161 984775790 /nfs/dbraw/zinc/77/57/90/984775790.db2.gz VBQKMJYZUIKTOS-UHFFFAOYSA-N -2 3 419.833 3.971 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000443532334 985703974 /nfs/dbraw/zinc/70/39/74/985703974.db2.gz SXHVYYOGAFEKOA-UHFFFAOYSA-N -2 3 409.357 3.672 20 0 HHADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1)C(=O)[O-] ZINC000463780691 986771057 /nfs/dbraw/zinc/77/10/57/986771057.db2.gz YNVXFCYMHFYLOU-CQSZACIVSA-N -2 3 413.442 3.785 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2C)cc1C(=O)[O-] ZINC000471137309 989247571 /nfs/dbraw/zinc/24/75/71/989247571.db2.gz RSYPWGZGHAMTCM-UHFFFAOYSA-N -2 3 403.378 3.912 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1C ZINC000484925926 997300709 /nfs/dbraw/zinc/30/07/09/997300709.db2.gz MNGDDJCNMLGDAA-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL COc1cc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)c(C)cc1C ZINC000478715713 999103199 /nfs/dbraw/zinc/10/31/99/999103199.db2.gz ZXOUECWEMACHDN-UHFFFAOYSA-N -2 3 407.488 3.665 20 0 HHADHL CCc1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000488287081 999424599 /nfs/dbraw/zinc/42/45/99/999424599.db2.gz BSRADZUNVMWJQI-UHFFFAOYSA-N -2 3 416.524 3.851 20 0 HHADHL Cc1ccc(-n2ncc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])c2C(C)C)cc1 ZINC000480244480 999754924 /nfs/dbraw/zinc/75/49/24/999754924.db2.gz HFZYBDDLQMFOPH-UHFFFAOYSA-N -3 3 415.471 3.509 20 0 HHADHL Cc1nc(C=Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000504719943 1000340597 /nfs/dbraw/zinc/34/05/97/1000340597.db2.gz FZDGCHPEEOLKPH-QPJJXVBHSA-N -2 3 418.375 3.552 20 0 HHADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(Oc4ccccn4)cc3)c1)CCC2 ZINC000505275958 1000663981 /nfs/dbraw/zinc/66/39/81/1000663981.db2.gz YWHGIHKFQRRGFS-UHFFFAOYSA-N -2 3 410.451 3.862 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)ccc1C(=O)[O-] ZINC000506661060 1001486639 /nfs/dbraw/zinc/48/66/39/1001486639.db2.gz FNDWENLSRQIDMB-SANMLTNESA-N -2 3 409.529 3.541 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1Cl ZINC000509629044 1003991336 /nfs/dbraw/zinc/99/13/36/1003991336.db2.gz PXFJUMBIDQIKFT-UHFFFAOYSA-N -2 3 405.806 3.663 20 0 HHADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(Br)cc1F)C(=O)[O-] ZINC000515588561 1006551178 /nfs/dbraw/zinc/55/11/78/1006551178.db2.gz MWSHGQHLZKZUBK-NSHDSACASA-N -2 3 410.305 3.538 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(C)c(C)o2)c1 ZINC000532007553 1006573062 /nfs/dbraw/zinc/57/30/62/1006573062.db2.gz VYNGTYPXOGJYTJ-UHFFFAOYSA-N -2 3 416.455 3.664 20 0 HHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Br)c(F)c2)c1C(=O)[O-] ZINC000534882828 1006910304 /nfs/dbraw/zinc/91/03/04/1006910304.db2.gz MRCGDSNEANBMJB-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc(C(F)(F)F)c1 ZINC000538938843 1007222424 /nfs/dbraw/zinc/22/24/24/1007222424.db2.gz KFFLALIHQWQWDW-UHFFFAOYSA-N -2 3 401.362 3.529 20 0 HHADHL Cc1cc(=O)[n-]c(-c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)n1 ZINC000518822605 1008433819 /nfs/dbraw/zinc/43/38/19/1008433819.db2.gz SFQNMZVWGDUDGN-UHFFFAOYSA-N -2 3 410.282 3.853 20 0 HHADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000543166499 1008742643 /nfs/dbraw/zinc/74/26/43/1008742643.db2.gz RYTXINMNPFXJMM-LLVKDONJSA-N -2 3 403.378 3.964 20 0 HHADHL Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000546859096 1009821144 /nfs/dbraw/zinc/82/11/44/1009821144.db2.gz GIXUUTDEFMVVSX-UHFFFAOYSA-N -2 3 419.268 3.724 20 0 HHADHL Cc1cccc([C@H]([N-]S(=O)(=O)c2cc(Br)sc2Cl)C(=O)[O-])c1 ZINC000548199372 1010559465 /nfs/dbraw/zinc/55/94/65/1010559465.db2.gz LTUWPZDGARWBBA-NSHDSACASA-N -2 3 424.725 3.577 20 0 HHADHL Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2C)s1 ZINC000548290710 1010582290 /nfs/dbraw/zinc/58/22/90/1010582290.db2.gz BVNSUGOZTGJRMB-ZDUSSCGKSA-N -2 3 418.334 3.540 20 0 HHADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])sc1Br ZINC000548592285 1010675165 /nfs/dbraw/zinc/67/51/65/1010675165.db2.gz QKBCGQIGHXQUHP-MFKMUULPSA-N -2 3 418.334 3.559 20 0 HHADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc(CCCC(=O)[O-])cc3)cc2F)c1 ZINC000536200074 1011344710 /nfs/dbraw/zinc/34/47/10/1011344710.db2.gz UTCXGOZLUBMHOX-UHFFFAOYSA-N -2 3 417.462 3.528 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3csnn3)cc2)c(C)c1CC(=O)[O-] ZINC000541078059 1011719045 /nfs/dbraw/zinc/71/90/45/1011719045.db2.gz FZOFNPGBBXBAER-UHFFFAOYSA-N -2 3 417.512 3.558 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2C)c(C)c1OCC(=O)[O-] ZINC000523591275 1012149152 /nfs/dbraw/zinc/14/91/52/1012149152.db2.gz DLBBODVQOGRRHL-UHFFFAOYSA-N -2 3 407.488 3.663 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c(C)c1CC(=O)[O-] ZINC000542005311 1012885976 /nfs/dbraw/zinc/88/59/76/1012885976.db2.gz IQSBYWSGMUQRME-UHFFFAOYSA-N -2 3 415.515 3.970 20 0 HHADHL CCCCc1ccc(N2C(=O)CC(N(C)Cc3nc(=O)c4sccc4[n-]3)=C2[O-])cc1 ZINC000913099374 1072328988 /nfs/dbraw/zinc/32/89/88/1072328988.db2.gz HWOHCNVMDWNQNY-KRWDZBQOSA-N -2 3 424.526 3.503 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]C(c2ccccc2)c2ccccc2)c(F)cc1F ZINC000761238825 1075709508 /nfs/dbraw/zinc/70/95/08/1075709508.db2.gz ZQOLWXIUDQXYOS-UHFFFAOYSA-N -2 3 403.406 3.731 20 0 HHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1C ZINC000303156670 971532590 /nfs/dbraw/zinc/53/25/90/971532590.db2.gz GYQPOJSBEHOKKM-UHFFFAOYSA-N -2 3 405.863 3.642 20 0 HHADHL COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc(Cl)c1[O-] ZINC000013058234 962361538 /nfs/dbraw/zinc/36/15/38/962361538.db2.gz QSDXFMUQLRIHKZ-LCYFTJDESA-N -2 3 415.920 3.900 20 0 HHADHL CCOC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C(=O)[O-])cc3)nc(=O)c2c1C ZINC000013351167 962390084 /nfs/dbraw/zinc/39/00/84/962390084.db2.gz BJWLLGGBVKTGPT-WQLSENKSSA-N -2 3 418.858 3.905 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)cc1 ZINC000020628190 963391584 /nfs/dbraw/zinc/39/15/84/963391584.db2.gz URPRMPFLELQHCO-UHFFFAOYSA-N -2 3 416.524 3.851 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 ZINC000057002923 965245211 /nfs/dbraw/zinc/24/52/11/965245211.db2.gz TUKAKIMCKOPCEK-UHFFFAOYSA-N -2 3 414.414 3.577 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C)cc3Cl)c2)n1 ZINC000055621102 965967702 /nfs/dbraw/zinc/96/77/02/965967702.db2.gz AJKUPRJRZBBBHS-UHFFFAOYSA-N -2 3 403.891 3.762 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(COCCc3ccccc3)c2)c1 ZINC000538299191 1013834736 /nfs/dbraw/zinc/83/47/36/1013834736.db2.gz VROYGRILDFKTCO-UHFFFAOYSA-N -2 3 413.495 3.961 20 0 HHADHL Cc1ccc(C(=O)Nc2ccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)cc2)c([O-])c1 ZINC000237643321 970327766 /nfs/dbraw/zinc/32/77/66/970327766.db2.gz ALTUJJJNKJLDSO-UHFFFAOYSA-N -2 3 405.332 3.856 20 0 HHADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CC[C@H](CC(=O)[O-])C(F)(F)F)c1Cl ZINC000327887138 972763456 /nfs/dbraw/zinc/76/34/56/972763456.db2.gz DRYUMTMDVPBTRZ-SECBINFHSA-N -2 3 422.252 3.932 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Br)c(F)c1 ZINC000387483827 972802443 /nfs/dbraw/zinc/80/24/43/972802443.db2.gz HZLIOOWEWOTDLZ-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1cc(F)c(Br)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000391504163 972840639 /nfs/dbraw/zinc/84/06/39/972840639.db2.gz YFBPRBNHVGXKLK-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(Br)cc1Cl ZINC000410398741 973998306 /nfs/dbraw/zinc/99/83/06/973998306.db2.gz RJMQFXWVOULUPU-UHFFFAOYSA-N -2 3 412.620 3.642 20 0 HHADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)no1 ZINC000430975029 977922093 /nfs/dbraw/zinc/92/20/93/977922093.db2.gz HSOSZVGYAJJIEP-UHFFFAOYSA-N -2 3 406.382 3.631 20 0 HHADHL O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436476995 981393823 /nfs/dbraw/zinc/39/38/23/981393823.db2.gz KWEFLIVFOGFWSS-UHFFFAOYSA-N -2 3 401.391 3.730 20 0 HHADHL C[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])[C@H]1C ZINC000436560352 981443876 /nfs/dbraw/zinc/44/38/76/981443876.db2.gz BIGJPANPMONDGS-STQMWFEESA-N -2 3 408.907 3.717 20 0 HHADHL O=C(NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000436719936 981529476 /nfs/dbraw/zinc/52/94/76/981529476.db2.gz DQOUSYZSXKNJIH-UHFFFAOYSA-N -2 3 416.886 3.776 20 0 HHADHL CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000436749501 981544462 /nfs/dbraw/zinc/54/44/62/981544462.db2.gz YSCFCUUDYGNGLC-LSDHHAIUSA-N -2 3 418.515 3.605 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000438776457 983064172 /nfs/dbraw/zinc/06/41/72/983064172.db2.gz VOUMXCBUKAQCLP-UHFFFAOYSA-N -2 3 403.378 3.689 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)c(C)c2)cc1C(=O)[O-] ZINC000440828912 983926746 /nfs/dbraw/zinc/92/67/46/983926746.db2.gz VMCQTNRXIWQBTH-UHFFFAOYSA-N -2 3 417.405 3.998 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C2(CC(C)C)CC2)c1 ZINC000442895082 985265798 /nfs/dbraw/zinc/26/57/98/985265798.db2.gz IQOSOTPOYKSOJV-UHFFFAOYSA-N -2 3 418.515 3.966 20 0 HHADHL Cc1ccc(-c2cccnc2)cc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000475840312 996408413 /nfs/dbraw/zinc/40/84/13/996408413.db2.gz ZZDDMGRQBXCFND-UHFFFAOYSA-N -2 3 412.467 3.630 20 0 HHADHL Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000476247033 996704390 /nfs/dbraw/zinc/70/43/90/996704390.db2.gz BNLPKXXGZVTCGW-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(COC(C)(C)C)c1C ZINC000476384421 996826841 /nfs/dbraw/zinc/82/68/41/996826841.db2.gz DOTFOWRNVRICGN-UHFFFAOYSA-N -2 3 407.488 3.823 20 0 HHADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CCC(=O)[O-])Cc1ccccc1 ZINC000484856653 997220339 /nfs/dbraw/zinc/22/03/39/997220339.db2.gz FKMWRQCRDLKYCL-INIZCTEOSA-N -2 3 405.447 3.635 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1C ZINC000484917099 997291498 /nfs/dbraw/zinc/29/14/98/997291498.db2.gz DSLDGIZYFIREPD-UHFFFAOYSA-N -2 3 403.378 3.830 20 0 HHADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1C ZINC000484936022 997312613 /nfs/dbraw/zinc/31/26/13/997312613.db2.gz HUXBKZAUKHUOIY-UHFFFAOYSA-N -2 3 414.277 3.574 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1NC(=O)c1ccco1 ZINC000477433497 998128095 /nfs/dbraw/zinc/12/80/95/998128095.db2.gz APPXJVXDMIXZNY-UHFFFAOYSA-N -2 3 414.439 3.648 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c(OC(F)(F)F)c1 ZINC000486098013 998546431 /nfs/dbraw/zinc/54/64/31/998546431.db2.gz GJFXFCDSCLDINP-UHFFFAOYSA-N -2 3 413.732 3.877 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(Br)cc2C)ccc1F ZINC000504679896 1000323066 /nfs/dbraw/zinc/32/30/66/1000323066.db2.gz GXCZZJITHVPPKY-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL CCCOc1ccc(Br)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000504710522 1000335873 /nfs/dbraw/zinc/33/58/73/1000335873.db2.gz CFWMKGUSPYFOHT-DAXSKMNVSA-N -2 3 407.264 3.839 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)OC(C)(C)C)cc2F)ccc1C(=O)[O-] ZINC000507936417 1002470464 /nfs/dbraw/zinc/47/04/64/1002470464.db2.gz MPWFHBXPOSSAHV-UHFFFAOYSA-N -2 3 409.435 3.588 20 0 HHADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)no1 ZINC000507939550 1002473601 /nfs/dbraw/zinc/47/36/01/1002473601.db2.gz QXSJSQSUNLFLIV-UHFFFAOYSA-N -2 3 407.275 3.919 20 0 HHADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2C(=O)[O-])cc1 ZINC000508022624 1002545960 /nfs/dbraw/zinc/54/59/60/1002545960.db2.gz ALVVEXDXECAABM-UHFFFAOYSA-N -2 3 420.556 3.862 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccoc3)c2)c(C)c1C(=O)[O-] ZINC000512743785 1004532820 /nfs/dbraw/zinc/53/28/20/1004532820.db2.gz ZZMJFTWORJHFGM-UHFFFAOYSA-N -2 3 414.439 3.648 20 0 HHADHL Cc1cc(Oc2ncccn2)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000512751653 1004536532 /nfs/dbraw/zinc/53/65/32/1004536532.db2.gz CAQGJJAHJDQABY-UHFFFAOYSA-N -2 3 413.455 3.693 20 0 HHADHL Cc1cc(Br)c([O-])c(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC000503860488 1005501865 /nfs/dbraw/zinc/50/18/65/1005501865.db2.gz NHLPYRCYIUNTCX-UHFFFAOYSA-N -2 3 400.232 3.670 20 0 HHADHL Cc1cc(Br)c([O-])c(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1 ZINC000503860488 1005501868 /nfs/dbraw/zinc/50/18/68/1005501868.db2.gz NHLPYRCYIUNTCX-UHFFFAOYSA-N -2 3 400.232 3.670 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OC2(CCCC2)O3)cc1C(=O)[O-] ZINC000515621515 1006562693 /nfs/dbraw/zinc/56/26/93/1006562693.db2.gz NNDACEMIFGHJMG-UHFFFAOYSA-N -2 3 403.456 3.844 20 0 HHADHL O=C(Nc1ccc(F)cc1[O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000532622177 1007044819 /nfs/dbraw/zinc/04/48/19/1007044819.db2.gz IGIUIYJEQXHCSS-UHFFFAOYSA-N -2 3 404.394 3.724 20 0 HHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2Br)c1 ZINC000517464617 1007689995 /nfs/dbraw/zinc/68/99/95/1007689995.db2.gz IDBNJNABZYXEKR-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC[C@@H](C)C2)c1 ZINC000539562419 1007877765 /nfs/dbraw/zinc/87/77/65/1007877765.db2.gz GQESXDGEVMZCDK-ZIAGYGMSSA-N -2 3 404.488 3.576 20 0 HHADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1 ZINC000533625953 1007928654 /nfs/dbraw/zinc/92/86/54/1007928654.db2.gz MEAYOWVTDSEGEZ-UHFFFAOYSA-N -2 3 403.378 3.912 20 0 HHADHL CCOc1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)c(C(=O)[O-])cc1OCC ZINC000519305342 1008717008 /nfs/dbraw/zinc/71/70/08/1008717008.db2.gz NFHBYSSLKRLPHS-UHFFFAOYSA-N -2 3 423.487 3.608 20 0 HHADHL O=C([O-])c1csc(Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2)n1 ZINC000543163526 1008738035 /nfs/dbraw/zinc/73/80/35/1008738035.db2.gz MROSEJYPKICDLZ-UHFFFAOYSA-N -2 3 414.508 3.722 20 0 HHADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)c1ccccc1 ZINC000547937201 1010473491 /nfs/dbraw/zinc/47/34/91/1010473491.db2.gz XRVYRWWCCIXBFF-LBPRGKRZSA-N -2 3 421.824 3.896 20 0 HHADHL O=C([O-])[C@@H]([N-]S(=O)(=O)Cc1c(Cl)cccc1Cl)c1c(F)cccc1F ZINC000547937752 1010474751 /nfs/dbraw/zinc/47/47/51/1010474751.db2.gz OURMULRYLKNEJY-AWEZNQCLSA-N -2 3 410.225 3.517 20 0 HHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccccc2F)c1Cl ZINC000548580161 1010671885 /nfs/dbraw/zinc/67/18/85/1010671885.db2.gz RQHYKZNNXJOKDG-ZDUSSCGKSA-N -2 3 406.262 3.935 20 0 HHADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548591168 1010674211 /nfs/dbraw/zinc/67/42/11/1010674211.db2.gz FSFKNPNFXWVLEG-NXEZZACHSA-N -2 3 412.733 3.660 20 0 HHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000548594129 1010675146 /nfs/dbraw/zinc/67/51/46/1010675146.db2.gz SOIKTBXEQCRWHZ-OAHLLOKOSA-N -2 3 415.801 3.777 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1OCCCC(=O)[O-] ZINC000523586793 1012140639 /nfs/dbraw/zinc/14/06/39/1012140639.db2.gz GDPAZRHOEJNHFP-UHFFFAOYSA-N -2 3 401.843 3.832 20 0 HHADHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2cccc(F)c2)cc1)c1ccc(F)cc1 ZINC000614865374 1071832811 /nfs/dbraw/zinc/83/28/11/1071832811.db2.gz HFEUHGOLACHPNY-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000020628192 963391137 /nfs/dbraw/zinc/39/11/37/963391137.db2.gz ZEMFNGBBKSQLFK-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL C=CCn1c(Cc2csc(NC(=O)c3cc(Cl)ccc3[O-])n2)n[n-]c1=S ZINC000030688628 965767581 /nfs/dbraw/zinc/76/75/81/965767581.db2.gz MJBKATBYLZMNPX-UHFFFAOYSA-N -2 3 407.908 3.785 20 0 HHADHL Cc1cc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1F ZINC000323645953 972714301 /nfs/dbraw/zinc/71/43/01/972714301.db2.gz YNJLGKXOXGUESF-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000325277185 972730691 /nfs/dbraw/zinc/73/06/91/972730691.db2.gz IWWMMUZLJIPHKU-UHFFFAOYSA-N -2 3 424.194 3.674 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2C)cc1C(=O)[O-] ZINC000392326377 972851474 /nfs/dbraw/zinc/85/14/74/972851474.db2.gz ZBYVLZHNPVCAIH-UHFFFAOYSA-N -2 3 416.268 3.958 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccncc3)cc2)cc1C(=O)[O-] ZINC000435135774 980666470 /nfs/dbraw/zinc/66/64/70/980666470.db2.gz USSKBKXMZKZSRB-UHFFFAOYSA-N -2 3 416.480 3.740 20 0 HHADHL CCCc1cc(=O)[n-]c(C(=Cc2ccc(OCC(=O)[O-])c(Br)c2)CC)n1 ZINC000435337433 980794509 /nfs/dbraw/zinc/79/45/09/980794509.db2.gz WAJQUEUWKOGLCR-MDWZMJQESA-N -2 3 421.291 3.899 20 0 HHADHL Cc1noc(C)c1NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436537121 981427440 /nfs/dbraw/zinc/42/74/40/981427440.db2.gz FUQGOUKKLYKSEM-UHFFFAOYSA-N -2 3 421.862 3.704 20 0 HHADHL O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)c([O-])c(Br)c1 ZINC000436807318 981570813 /nfs/dbraw/zinc/57/08/13/981570813.db2.gz XMUYLDNCTFDURM-UHFFFAOYSA-N -2 3 419.044 3.692 20 0 HHADHL C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436988487 981670981 /nfs/dbraw/zinc/67/09/81/981670981.db2.gz LJKJXVVCMIMECE-ZDUSSCGKSA-N -2 3 408.907 3.861 20 0 HHADHL Cc1ccnc(Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(Cl)c3)cc2)n1 ZINC000441710593 984409562 /nfs/dbraw/zinc/40/95/62/984409562.db2.gz DBDSNJAPOSVRDO-UHFFFAOYSA-N -2 3 419.846 3.730 20 0 HHADHL O=C([O-])c1cc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc(Cl)c1Cl ZINC000443357542 985520152 /nfs/dbraw/zinc/52/01/52/985520152.db2.gz FCMQXFWCAHTNSZ-UHFFFAOYSA-N -2 3 408.234 3.651 20 0 HHADHL Cc1nc(C=Cc2ccc3ccc(Br)cc3n2)[n-]c(=O)c1CCC(=O)[O-] ZINC000443449779 985615204 /nfs/dbraw/zinc/61/52/04/985615204.db2.gz VXLHWDDSEIPONY-SOFGYWHQSA-N -2 3 414.259 3.989 20 0 HHADHL Cc1ccc(NC(=O)c2cncc([O-])c2)cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000468962925 986666003 /nfs/dbraw/zinc/66/60/03/986666003.db2.gz OIKZCQYJCOCOHI-UHFFFAOYSA-N -2 3 417.874 3.802 20 0 HHADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1)C(=O)[O-] ZINC000463780689 986770637 /nfs/dbraw/zinc/77/06/37/986770637.db2.gz YNVXFCYMHFYLOU-AWEZNQCLSA-N -2 3 413.442 3.785 20 0 HHADHL COc1ccc(C(=O)Nc2cccc(C=Cc3nc(C)c(CC(=O)[O-])c(=O)[n-]3)c2)cc1 ZINC000470236287 988172478 /nfs/dbraw/zinc/17/24/78/988172478.db2.gz HAEMMRDDPWIXEC-WDZFZDKYSA-N -2 3 419.437 3.549 20 0 HHADHL CCOCCOCc1cccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)c1C ZINC000471128635 989237393 /nfs/dbraw/zinc/23/73/93/989237393.db2.gz DUCAHWSBFRXDFZ-UHFFFAOYSA-N -2 3 421.515 3.664 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)OC(C)(C)C)c2)cc1C(=O)[O-] ZINC000475828476 996397718 /nfs/dbraw/zinc/39/77/18/996397718.db2.gz DUFUUKSSEHEKIB-UHFFFAOYSA-N -2 3 419.499 3.768 20 0 HHADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])c(C(F)(F)F)c3)ccc2O1 ZINC000484931242 997307045 /nfs/dbraw/zinc/30/70/45/997307045.db2.gz CBULCEGUQGWZPT-UHFFFAOYSA-N -2 3 415.389 3.918 20 0 HHADHL Cc1nc(C=Cc2csc(COc3ccc(Cl)cc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000504729614 1000344643 /nfs/dbraw/zinc/34/46/43/1000344643.db2.gz JWHAOEOTWCIODH-DAXSKMNVSA-N -2 3 417.874 3.977 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(C3CC3)c2)cc1Br ZINC000499502816 1002892254 /nfs/dbraw/zinc/89/22/54/1002892254.db2.gz DLBGGYPVYBHZKI-UHFFFAOYSA-N -2 3 414.252 3.965 20 0 HHADHL O=C([O-])c1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000500631446 1003846865 /nfs/dbraw/zinc/84/68/65/1003846865.db2.gz GRIPGGFRZUAWJK-UHFFFAOYSA-N -2 3 414.414 3.577 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000512728859 1004522880 /nfs/dbraw/zinc/52/28/80/1004522880.db2.gz IURSDMNOIUVTBL-UHFFFAOYSA-N -3 3 418.254 3.807 20 0 HHADHL Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000511214168 1005077487 /nfs/dbraw/zinc/07/74/87/1005077487.db2.gz DSVNVJGRNGURTG-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2CC[C@H](C)C2)c1 ZINC000532091959 1006626763 /nfs/dbraw/zinc/62/67/63/1006626763.db2.gz LDOYPFFPSQLPLT-LSDHHAIUSA-N -2 3 418.515 3.966 20 0 HHADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(Br)c2)c1C(=O)[O-] ZINC000534881905 1006909198 /nfs/dbraw/zinc/90/91/98/1006909198.db2.gz ZLABNZXSBFCMCW-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)cc1CC(=O)[O-] ZINC000540338045 1008387024 /nfs/dbraw/zinc/38/70/24/1008387024.db2.gz JVAQPULYYUTWOE-UHFFFAOYSA-N -2 3 411.479 3.714 20 0 HHADHL Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3ccc([C@@H](C)CC(=O)[O-])cc3)cc2F)c1 ZINC000543164042 1008738548 /nfs/dbraw/zinc/73/85/48/1008738548.db2.gz SNZGZSVOYTZVID-AWEZNQCLSA-N -2 3 417.462 3.699 20 0 HHADHL CC(C)c1ccc([C@H](CC(=O)[O-])[N-]S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000547570803 1010351996 /nfs/dbraw/zinc/35/19/96/1010351996.db2.gz XLZVQPHMIXJUKE-INIZCTEOSA-N -2 3 401.406 3.722 20 0 HHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]Cc1ccc(C(=O)[O-])c(C2CC2)n1 ZINC000547576187 1010353266 /nfs/dbraw/zinc/35/32/66/1010353266.db2.gz NBXQGQYGQSXEHQ-UHFFFAOYSA-N -2 3 420.874 3.844 20 0 HHADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000547899988 1010464639 /nfs/dbraw/zinc/46/46/39/1010464639.db2.gz KWWRSSSHQOSBCR-LLVKDONJSA-N -2 3 402.925 3.775 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c(C)c1CC(=O)[O-] ZINC000541077327 1011717698 /nfs/dbraw/zinc/71/76/98/1011717698.db2.gz ORXRQISVGZTODG-UHFFFAOYSA-N -2 3 400.456 3.695 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)C(C)(C)C)c1 ZINC000523749894 1012373552 /nfs/dbraw/zinc/37/35/52/1012373552.db2.gz MYNBPHQKQIPYJW-ZDUSSCGKSA-N -2 3 406.504 3.822 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3cccc4cccnc43)c2)n1 ZINC000523792544 1012449916 /nfs/dbraw/zinc/44/99/16/1012449916.db2.gz BPAGBBRTRHVZQT-UHFFFAOYSA-N -2 3 406.467 3.761 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(C)c2)cc1Cl ZINC000523874587 1012570404 /nfs/dbraw/zinc/57/04/04/1012570404.db2.gz UFNKTHYKRVUHMV-UHFFFAOYSA-N -2 3 413.879 3.701 20 0 HHADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cccc(F)c3)cc2)cc1 ZINC000614880031 1071954850 /nfs/dbraw/zinc/95/48/50/1071954850.db2.gz ASACWZKBHSMUMA-UHFFFAOYSA-N -2 3 417.414 3.882 20 0 HHADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000013314019 962387402 /nfs/dbraw/zinc/38/74/02/962387402.db2.gz AGACXNRMJCREPA-UHFFFAOYSA-N -2 3 407.797 3.578 20 0 HHADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)ccc1Br ZINC000013345833 962388930 /nfs/dbraw/zinc/38/89/30/962388930.db2.gz RVLDLOWLJSRFDC-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)cc2)c1 ZINC000028835801 965195312 /nfs/dbraw/zinc/19/53/12/965195312.db2.gz XSRFNSHLFOQAKS-UHFFFAOYSA-N -2 3 412.467 3.762 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)c2)n1 ZINC000055621103 965968196 /nfs/dbraw/zinc/96/81/96/965968196.db2.gz GYSYXFKRZVXKOM-UHFFFAOYSA-N -2 3 407.854 3.593 20 0 HHADHL N#C[C@H](c1ccccc1)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000032631489 966298453 /nfs/dbraw/zinc/29/84/53/966298453.db2.gz XVIFVFQIJZPGDH-OAQYLSRUSA-N -2 3 422.462 3.606 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c(C)c1 ZINC000062640790 966719682 /nfs/dbraw/zinc/71/96/82/966719682.db2.gz AGTAHLVWKLXELE-UHFFFAOYSA-N -2 3 403.378 3.830 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)c(C)c1 ZINC000064478070 967204712 /nfs/dbraw/zinc/20/47/12/967204712.db2.gz HNIMBVNJEBLALX-UHFFFAOYSA-N -2 3 416.524 3.905 20 0 HHADHL Cc1oc(C[N-]S(=O)(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1C(=O)[O-] ZINC000542861226 1013716431 /nfs/dbraw/zinc/71/64/31/1013716431.db2.gz BFNJKELFUMMIHH-UHFFFAOYSA-N -2 3 412.876 3.542 20 0 HHADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000047949140 968374991 /nfs/dbraw/zinc/37/49/91/968374991.db2.gz OMSSKOFBWFOJDR-UHFFFAOYSA-N -2 3 414.277 3.735 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2C)c1 ZINC000069526174 968836808 /nfs/dbraw/zinc/83/68/08/968836808.db2.gz LPDMHAJDOFRJIZ-UHFFFAOYSA-N -2 3 412.467 3.762 20 0 HHADHL O=S(=O)([N-]c1ccccc1)c1ccc([N-]S(=O)(=O)c2cccc(F)c2F)cc1 ZINC000072071298 968972434 /nfs/dbraw/zinc/97/24/34/968972434.db2.gz UPFPDNPPLYCISQ-UHFFFAOYSA-N -2 3 424.450 3.566 20 0 HHADHL COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(C(=O)[O-])cc3)nc(=O)c2c1C ZINC000141681506 970125173 /nfs/dbraw/zinc/12/51/73/970125173.db2.gz HXSMSBPFMLEOAZ-YRNVUSSQSA-N -2 3 404.831 3.515 20 0 HHADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br)c1ccccc1 ZINC000236658529 970152080 /nfs/dbraw/zinc/15/20/80/970152080.db2.gz CZLADONTDVNTCC-ZDUSSCGKSA-N -2 3 416.293 3.806 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H](C)C2CC2)c1 ZINC000143985319 970217745 /nfs/dbraw/zinc/21/77/45/970217745.db2.gz GVNGUVRIFCIAAB-CYBMUJFWSA-N -2 3 404.488 3.576 20 0 HHADHL Cc1ccc(C(=O)Nc2cccc(-n3ncc(C(=O)[O-])c3C(F)(F)F)c2)c([O-])c1 ZINC000237651274 970330600 /nfs/dbraw/zinc/33/06/00/970330600.db2.gz PUMBQGAUUFQUOX-UHFFFAOYSA-N -2 3 405.332 3.856 20 0 HHADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c(F)c1 ZINC000319393562 972671312 /nfs/dbraw/zinc/67/13/12/972671312.db2.gz DGTKKDKIEMIHTN-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(Br)c(C(=O)[O-])c1 ZINC000323213580 972709402 /nfs/dbraw/zinc/70/94/02/972709402.db2.gz OFJXDWQRIJHIBZ-UHFFFAOYSA-N -2 3 402.241 3.704 20 0 HHADHL Cc1nccc(-c2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3[O-])c2)n1 ZINC000436474984 981393162 /nfs/dbraw/zinc/39/31/62/981393162.db2.gz AXBYZAJZPRGBOG-UHFFFAOYSA-N -2 3 409.389 3.977 20 0 HHADHL CC(C)C(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])c1 ZINC000436479268 981394570 /nfs/dbraw/zinc/39/45/70/981394570.db2.gz PYADCRQLBYLATP-UHFFFAOYSA-N -2 3 402.394 3.806 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1CC2(C1)CCCC2 ZINC000436829735 981579666 /nfs/dbraw/zinc/57/96/66/981579666.db2.gz TUOJFGKTAMENLP-UHFFFAOYSA-N -2 3 420.918 3.863 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CCC(F)(F)F)cc1 ZINC000440273499 983703807 /nfs/dbraw/zinc/70/38/07/983703807.db2.gz RVQMDLWMWPBBBP-UHFFFAOYSA-N -2 3 403.378 3.695 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(Oc3cc(C)[nH]n3)cc2)cc1C(=O)[O-] ZINC000440811223 983916665 /nfs/dbraw/zinc/91/66/65/983916665.db2.gz GLSVINNWROMDDK-UHFFFAOYSA-N -2 3 401.444 3.572 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCOCC3)c(C)c2)cc1C(=O)[O-] ZINC000440836402 983930640 /nfs/dbraw/zinc/93/06/40/983930640.db2.gz WIFQIFLKHIEJSH-UHFFFAOYSA-N -2 3 419.499 3.614 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H]2CCC[C@@H]2C)c1 ZINC000470397710 988358127 /nfs/dbraw/zinc/35/81/27/988358127.db2.gz MPDLYAXNJOYIKQ-LSDHHAIUSA-N -2 3 418.515 3.966 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1NC(=O)c1ccco1 ZINC000466352945 991617957 /nfs/dbraw/zinc/61/79/57/991617957.db2.gz PGECNNUUJUGKFK-UHFFFAOYSA-N -2 3 414.439 3.648 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)ccc1OCC(=O)[O-] ZINC000467072031 992377608 /nfs/dbraw/zinc/37/76/08/992377608.db2.gz LPVWYTUYFMVCII-UHFFFAOYSA-N -2 3 407.488 3.684 20 0 HHADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Br)c2)cc1Cl ZINC000476261194 996713182 /nfs/dbraw/zinc/71/31/82/996713182.db2.gz RTDMKPWJPHVNRE-UHFFFAOYSA-N -2 3 420.668 3.610 20 0 HHADHL Cc1c(COC(C)(C)C)cccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000476385161 996828589 /nfs/dbraw/zinc/82/85/89/996828589.db2.gz JPIVMUKTVUMQOW-UHFFFAOYSA-N -2 3 407.488 3.574 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)C(C)(C)C2CC2)c1 ZINC000476489885 996973014 /nfs/dbraw/zinc/97/30/14/996973014.db2.gz OBKFZDMAKPSEMS-UHFFFAOYSA-N -2 3 404.488 3.576 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)c(C)c1 ZINC000484931492 997307067 /nfs/dbraw/zinc/30/70/67/997307067.db2.gz DHMULWVNFGPJLG-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1OC ZINC000484932470 997309168 /nfs/dbraw/zinc/30/91/68/997309168.db2.gz FIZZSQYNDCRYCD-UHFFFAOYSA-N -2 3 419.377 3.530 20 0 HHADHL CCc1ccccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000488292169 999426168 /nfs/dbraw/zinc/42/61/68/999426168.db2.gz XEZRXKAAYYTKSC-UHFFFAOYSA-N -2 3 416.524 3.851 20 0 HHADHL CCCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000479465892 999429656 /nfs/dbraw/zinc/42/96/56/999429656.db2.gz HDZFKBIYTJDNKI-UHFFFAOYSA-N -2 3 402.881 3.639 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(-c3ccc(C)cc3)c2C(C)C)c1 ZINC000480208297 999745806 /nfs/dbraw/zinc/74/58/06/999745806.db2.gz ICNVNDJYTVKIFY-UHFFFAOYSA-N -2 3 401.488 3.819 20 0 HHADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1F ZINC000489449554 999769742 /nfs/dbraw/zinc/76/97/42/999769742.db2.gz DWDZKYUAMZSMJE-UHFFFAOYSA-N -2 3 422.459 3.765 20 0 HHADHL O=C(Cc1sccc1C(=O)Nc1ccc(F)cc1[O-])Nc1ccc(F)cc1[O-] ZINC000490650260 999988964 /nfs/dbraw/zinc/98/89/64/999988964.db2.gz QDOWZQOEBQCWKA-UHFFFAOYSA-N -2 3 404.394 3.871 20 0 HHADHL O=C([O-])CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000504507285 1000240021 /nfs/dbraw/zinc/24/00/21/1000240021.db2.gz HAYVYZJVVNZRQJ-UHFFFAOYSA-N -2 3 421.805 3.596 20 0 HHADHL Cc1ccc([N-]S(=O)(=O)c2ccsc2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000506705698 1001499644 /nfs/dbraw/zinc/49/96/44/1001499644.db2.gz CKNLGXLNHUWZDL-UHFFFAOYSA-N -2 3 408.526 3.658 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2ccc(OC(C)C)c(Cl)c2)ccc1OCC(=O)[O-] ZINC000500324594 1003625466 /nfs/dbraw/zinc/62/54/66/1003625466.db2.gz FREJZBMUICPHID-UHFFFAOYSA-N -2 3 413.879 3.700 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Br)c3cccnc23)c1 ZINC000509376703 1003805853 /nfs/dbraw/zinc/80/58/53/1003805853.db2.gz BUYBKAYCQPFWMY-UHFFFAOYSA-N -2 3 409.261 3.512 20 0 HHADHL COc1ccc(-c2ccc(C)c([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)c2)cn1 ZINC000509397084 1003828533 /nfs/dbraw/zinc/82/85/33/1003828533.db2.gz QJHGZGDCCCNTFN-UHFFFAOYSA-N -2 3 412.467 3.873 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1Cl ZINC000509561859 1003946099 /nfs/dbraw/zinc/94/60/99/1003946099.db2.gz VKHJAGLFGIYCIK-UHFFFAOYSA-N -2 3 405.806 3.663 20 0 HHADHL O=C([O-])CCCOc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1F ZINC000509660175 1004011037 /nfs/dbraw/zinc/01/10/37/1004011037.db2.gz XBIOUJUAEGNQCG-UHFFFAOYSA-N -2 3 405.806 3.663 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C[S@](=O)C(C)(C)C)c2)c(C)c1C(=O)[O-] ZINC000512727848 1004521866 /nfs/dbraw/zinc/52/18/66/1004521866.db2.gz BFYRCCUUJUTLBF-MHZLTWQESA-N -2 3 423.556 3.850 20 0 HHADHL O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1cccc([O-])c1F ZINC000534209542 1006203667 /nfs/dbraw/zinc/20/36/67/1006203667.db2.gz VIEIVKXQVNMZPF-UHFFFAOYSA-N -2 3 406.460 3.575 20 0 HHADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000515629982 1006567751 /nfs/dbraw/zinc/56/77/51/1006567751.db2.gz MVKLDYXQWSUKPP-UHFFFAOYSA-N -2 3 420.487 3.736 20 0 HHADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccc(F)cc3[O-])c2)c1 ZINC000532012854 1006575260 /nfs/dbraw/zinc/57/52/60/1006575260.db2.gz JWTGTHUCORIEJL-UHFFFAOYSA-N -2 3 400.431 3.893 20 0 HHADHL CC[C@]1(C)C[C@@H]1C(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1[O-] ZINC000532070689 1006614171 /nfs/dbraw/zinc/61/41/71/1006614171.db2.gz RSHFKMBYFXTVNK-JLTOFOAXSA-N -2 3 404.488 3.576 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc(C)n3)c2)cc1CC(=O)[O-] ZINC000539239732 1007532937 /nfs/dbraw/zinc/53/29/37/1007532937.db2.gz SZSJYPPSPFAXET-UHFFFAOYSA-N -2 3 418.496 3.555 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c(C)c1CC(=O)[O-] ZINC000543866583 1009434854 /nfs/dbraw/zinc/43/48/54/1009434854.db2.gz RBZIRLDVQSURKU-UHFFFAOYSA-N -2 3 403.500 3.753 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccc1-n1cccc1C(=O)[O-] ZINC000550490258 1009977853 /nfs/dbraw/zinc/97/78/53/1009977853.db2.gz VCCGZNQARDPWNS-UHFFFAOYSA-N -2 3 407.451 3.833 20 0 HHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])c(C3CC3)n2)c1Cl ZINC000547572505 1010352082 /nfs/dbraw/zinc/35/20/82/1010352082.db2.gz CFQNLJWMYQWHCL-UHFFFAOYSA-N -2 3 415.298 3.751 20 0 HHADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)c1Cl ZINC000547935207 1010473786 /nfs/dbraw/zinc/47/37/86/1010473786.db2.gz WBSLXMGPNOSRIM-ZDUSSCGKSA-N -2 3 402.299 3.839 20 0 HHADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])c1c(F)cccc1F ZINC000548594119 1010675046 /nfs/dbraw/zinc/67/50/46/1010675046.db2.gz SOIKTBXEQCRWHZ-HNNXBMFYSA-N -2 3 415.801 3.777 20 0 HHADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2c(Cl)cccc2Br)(CC(=O)[O-])C1 ZINC000548875920 1010750254 /nfs/dbraw/zinc/75/02/54/1010750254.db2.gz YAIAOHXIFISIOH-BONVTDFDSA-N -2 3 424.744 3.662 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(Br)o3)c2)n1 ZINC000545365760 1010754067 /nfs/dbraw/zinc/75/40/67/1010754067.db2.gz HMHHAYYWGIBOHT-UHFFFAOYSA-N -2 3 424.276 3.568 20 0 HHADHL Cc1csc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])c(C)c3)c2)n1 ZINC000522597786 1011100841 /nfs/dbraw/zinc/10/08/41/1011100841.db2.gz YXQVDMAIUPRUKQ-UHFFFAOYSA-N -2 3 418.496 3.691 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OC3CCCC3)cc2)c(C)c1OCC(=O)[O-] ZINC000523185535 1011669736 /nfs/dbraw/zinc/66/97/36/1011669736.db2.gz MWNKAOFRKSHZNK-UHFFFAOYSA-N -2 3 419.499 3.889 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(OCC(F)F)c2)cc1C(=O)[O-] ZINC000524102042 1012877086 /nfs/dbraw/zinc/87/70/86/1012877086.db2.gz STPPWSLSUYAWRY-UHFFFAOYSA-N -2 3 415.414 3.537 20 0 HHADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000729665051 1071777790 /nfs/dbraw/zinc/77/77/90/1071777790.db2.gz AQEUVQRHKSSRAT-UHFFFAOYSA-N -2 3 422.459 3.547 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1OCC(F)(F)F ZINC000737755949 1072307625 /nfs/dbraw/zinc/30/76/25/1072307625.db2.gz BKOQOTQZDYTHQT-UHFFFAOYSA-N -2 3 407.341 3.574 20 0 HHADHL O=C(Nc1cc(F)cc(F)c1[O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC001142542976 1072434745 /nfs/dbraw/zinc/43/47/45/1072434745.db2.gz XVGJGNAPLDGQRV-UHFFFAOYSA-N -2 3 422.384 3.863 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(CN3CCc4ccccc43)cc2)cc1 ZINC000588832209 1073287958 /nfs/dbraw/zinc/28/79/58/1073287958.db2.gz FJDHZPHHKJNWKC-UHFFFAOYSA-N -2 3 408.479 3.748 20 0 HHADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]Cc2nc3ccccc3s2)c1 ZINC000761240727 1075712239 /nfs/dbraw/zinc/71/22/39/1075712239.db2.gz PQGUUOHMCAWONS-UHFFFAOYSA-N -2 3 417.295 3.780 20 0 HHADHL C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000014064331 962414932 /nfs/dbraw/zinc/41/49/32/962414932.db2.gz PRBFJMMCEMBGEW-ZDUSSCGKSA-N -2 3 408.907 3.719 20 0 HHADHL O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000053512259 965199239 /nfs/dbraw/zinc/19/92/39/965199239.db2.gz VZZDNPCSAFHNNP-UHFFFAOYSA-N -2 3 419.462 3.581 20 0 HHADHL CCCC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1C ZINC000063181222 966769543 /nfs/dbraw/zinc/76/95/43/966769543.db2.gz BCLCSYYJGJTJLG-UHFFFAOYSA-N -2 3 404.488 3.849 20 0 HHADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000064478074 967204473 /nfs/dbraw/zinc/20/44/73/967204473.db2.gz ASWMMLDLTYJIPQ-UHFFFAOYSA-N -2 3 402.497 3.597 20 0 HHADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)c1 ZINC000047215087 968091411 /nfs/dbraw/zinc/09/14/11/968091411.db2.gz WSSYCJLNFFPUCD-UHFFFAOYSA-N -2 3 402.497 3.597 20 0 HHADHL CCc1cc(=O)[n-]c(SCc2ccccc2CSc2nc(CC)cc(=O)[n-]2)n1 ZINC000111895663 969812316 /nfs/dbraw/zinc/81/23/16/969812316.db2.gz MUPMMNBTTQCAMI-UHFFFAOYSA-N -2 3 414.556 3.563 20 0 HHADHL Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000317661671 972658122 /nfs/dbraw/zinc/65/81/22/972658122.db2.gz DIWMAURDXQCEHV-UHFFFAOYSA-N -2 3 404.669 3.910 20 0 HHADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1Br ZINC000322632791 972701670 /nfs/dbraw/zinc/70/16/70/972701670.db2.gz SPWBGHMVNOJAHE-UHFFFAOYSA-N -2 3 406.204 3.535 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(Br)c2)cc1C(=O)[O-] ZINC000325957077 972737558 /nfs/dbraw/zinc/73/75/58/972737558.db2.gz OCZFTOPTLSCGTA-UHFFFAOYSA-N -2 3 414.277 3.655 20 0 HHADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cc(Br)c(F)cc2F)cc1 ZINC000326261452 972740996 /nfs/dbraw/zinc/74/09/96/972740996.db2.gz FVISXCRNTWQCME-UHFFFAOYSA-N -2 3 420.231 3.545 20 0 HHADHL Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(F)cc1Br ZINC000326642278 972745905 /nfs/dbraw/zinc/74/59/05/972745905.db2.gz XYRKOOVWZQPZBI-UHFFFAOYSA-N -2 3 416.268 3.715 20 0 HHADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1F ZINC000390539420 972825834 /nfs/dbraw/zinc/82/58/34/972825834.db2.gz MDSWBTRKRNSCKO-UHFFFAOYSA-N -2 3 408.632 3.741 20 0 HHADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)c(C(=O)[O-])c2)cc1 ZINC000392492856 972854190 /nfs/dbraw/zinc/85/41/90/972854190.db2.gz GPEJRROSTVKRGX-UHFFFAOYSA-N -2 3 414.277 3.737 20 0 HHADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccco4)[nH]c3c2)cc1Cl ZINC000433526260 979358253 /nfs/dbraw/zinc/35/82/53/979358253.db2.gz VAOMGJRBDIWGLI-UHFFFAOYSA-N -2 3 417.830 3.975 20 0 HHADHL CN(Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1)C(=O)c1ccc(F)cc1[O-] ZINC000436567363 981449411 /nfs/dbraw/zinc/44/94/11/981449411.db2.gz NXUXGHSOPZCTMA-UHFFFAOYSA-N -2 3 414.458 3.604 20 0 HHADHL C[C@H]1CC[C@H](C)N1C(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436581399 981458810 /nfs/dbraw/zinc/45/88/10/981458810.db2.gz AZXDKWJBHKGTFE-STQMWFEESA-N -2 3 408.907 3.859 20 0 HHADHL CC(C)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)ccc2[O-])C1 ZINC000436589848 981463454 /nfs/dbraw/zinc/46/34/54/981463454.db2.gz QYLQMQOKEGQBRV-AWEZNQCLSA-N -2 3 422.934 3.965 20 0 HHADHL C[C@@H](NC(=O)c1ccccc1[O-])c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000436601350 981468514 /nfs/dbraw/zinc/46/85/14/981468514.db2.gz BKDDKEUQNRODIF-CYBMUJFWSA-N -2 3 402.497 3.746 20 0 HHADHL O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000436756967 981548111 /nfs/dbraw/zinc/54/81/11/981548111.db2.gz UCNBVCPWNWOTRQ-UHFFFAOYSA-N -2 3 418.858 3.804 20 0 HHADHL Cc1c(CSC(C)C)cccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000460843357 982590809 /nfs/dbraw/zinc/59/08/09/982590809.db2.gz VGSMPDGIKDKREV-UHFFFAOYSA-N -2 3 409.529 3.901 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC3CCOCC3)cc2)cc1C(=O)[O-] ZINC000440827979 983926067 /nfs/dbraw/zinc/92/60/67/983926067.db2.gz SHWUGASACFKKPG-UHFFFAOYSA-N -2 3 419.499 3.553 20 0 HHADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)CC(C)C)cc2)cc1C(=O)[O-] ZINC000441339279 984194270 /nfs/dbraw/zinc/19/42/70/984194270.db2.gz YQHWAMRJSWMWJR-UHFFFAOYSA-N -2 3 404.488 3.733 20 0 HHADHL COc1cc(S(=O)(=O)[N-]c2ccc(OCCC(C)C)cc2)cc(C(=O)[O-])c1OC ZINC000467073675 992379666 /nfs/dbraw/zinc/37/96/66/992379666.db2.gz RWHQXSQNSKYGQH-UHFFFAOYSA-N -2 3 423.487 3.628 20 0 HHADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C(F)(F)F)c2)c(C)c1 ZINC000484929264 997304072 /nfs/dbraw/zinc/30/40/72/997304072.db2.gz XDZHOMGDHSPRSF-UHFFFAOYSA-N -2 3 403.378 3.912 20 0 HHADHL CC(C)(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000484982452 997346834 /nfs/dbraw/zinc/34/68/34/997346834.db2.gz ZNYBPSBTYYXCQY-UHFFFAOYSA-N -2 3 417.405 3.791 20 0 HHADHL COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CCCC2(C)C)c1 ZINC000477604377 998320978 /nfs/dbraw/zinc/32/09/78/998320978.db2.gz DMOMVVNQYCSOIU-HNNXBMFYSA-N -2 3 418.515 3.966 20 0 HHADHL O=C([O-])c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)c1 ZINC000486206943 998645693 /nfs/dbraw/zinc/64/56/93/998645693.db2.gz RYPSZAVAWQUREN-UHFFFAOYSA-N -2 3 414.414 3.577 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc4ncsc4c3)c2)n1 ZINC000479484217 999438156 /nfs/dbraw/zinc/43/81/56/999438156.db2.gz AASOQWMMPLGIMS-UHFFFAOYSA-N -2 3 412.496 3.822 20 0 HHADHL Cc1cc(S(=O)(=O)[N-]c2cccc(CSC3CCOCC3)c2)ccc1C(=O)[O-] ZINC000506662586 1001486855 /nfs/dbraw/zinc/48/68/55/1001486855.db2.gz RWTSJQVHHCVPGI-UHFFFAOYSA-N -2 3 421.540 3.906 20 0 HHADHL Cc1nc(-c2cccc([N-]S(=O)(=O)c3ccc(OCC(=O)[O-])c(C)c3)c2)cs1 ZINC000500366137 1003663704 /nfs/dbraw/zinc/66/37/04/1003663704.db2.gz WYJVRTXVMDPINE-UHFFFAOYSA-N -2 3 418.496 3.691 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccccc3OC(F)F)c2)n1 ZINC000509543282 1003934850 /nfs/dbraw/zinc/93/48/50/1003934850.db2.gz QKAFCMCSZZXUHI-UHFFFAOYSA-N -2 3 421.425 3.814 20 0 HHADHL CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2SC)cc1F ZINC000534239223 1006245270 /nfs/dbraw/zinc/24/52/70/1006245270.db2.gz VVSOAKGYHSDESG-UHFFFAOYSA-N -2 3 418.537 3.500 20 0 HHADHL O=C(c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-])N1C2CCC1CC2 ZINC000538746557 1007030788 /nfs/dbraw/zinc/03/07/88/1007030788.db2.gz GVUMEZXPOLUCSO-UHFFFAOYSA-N -2 3 406.891 3.613 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Sc3nc(C)cc(C)n3)cc2)c1 ZINC000540498004 1008456154 /nfs/dbraw/zinc/45/61/54/1008456154.db2.gz KZTYVAZVZWVWMX-UHFFFAOYSA-N -2 3 417.512 3.760 20 0 HHADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000548591175 1010674250 /nfs/dbraw/zinc/67/42/50/1010674250.db2.gz FSFKNPNFXWVLEG-VHSXEESVSA-N -2 3 412.733 3.660 20 0 HHADHL CCc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)s1 ZINC000548596375 1010675781 /nfs/dbraw/zinc/67/57/81/1010675781.db2.gz JMBASTMXMFZXJD-LLVKDONJSA-N -2 3 409.316 3.507 20 0 HHADHL CCOc1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)c(C(=O)[O-])cc1OCC ZINC000522956701 1011403078 /nfs/dbraw/zinc/40/30/78/1011403078.db2.gz DPMZPEZQYIXAJZ-UHFFFAOYSA-N -2 3 423.487 3.608 20 0 HHADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c(C)c1CC(=O)[O-] ZINC000541079284 1011720965 /nfs/dbraw/zinc/72/09/65/1011720965.db2.gz ALBPFKVKHIHPBO-UHFFFAOYSA-N -2 3 413.442 3.684 20 0 HHADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1CC(=O)[O-] ZINC000537037243 1012354355 /nfs/dbraw/zinc/35/43/55/1012354355.db2.gz WHUNDMFHXNCLPM-UHFFFAOYSA-N -2 3 423.796 3.795 20 0 HHADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C(=O)Nc3ccccc3)c2C)c1 ZINC000537196966 1012613709 /nfs/dbraw/zinc/61/37/09/1012613709.db2.gz BODACBUDWYQCBP-UHFFFAOYSA-N -2 3 412.467 3.762 20 0 HHADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccc(C(F)(F)F)nc3)c2)n1 ZINC000542007718 1012889546 /nfs/dbraw/zinc/88/95/46/1012889546.db2.gz QSGZNDGLHZRRQN-UHFFFAOYSA-N -2 3 424.404 3.626 20 0 HHADHL CC(C)(C)OC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000729665951 1071780653 /nfs/dbraw/zinc/78/06/53/1071780653.db2.gz NKQFDAWVMKGOOD-UHFFFAOYSA-N -2 3 410.423 3.672 20 0 HHADHL