smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1 ZINC000538468055 939273666 /nfs/dbraw/zinc/27/36/66/939273666.db2.gz QVWIQOYCYUTIIT-UHFFFAOYSA-N -2 0 418.471 2.542 20 0 HFADRL Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@](C)(C(=O)[O-])C3CC3)c2)c1 ZINC000539603604 939283381 /nfs/dbraw/zinc/28/33/81/939283381.db2.gz IEHBDVUOQWAYOH-FQEVSTJZSA-N -2 0 402.472 2.779 20 0 HFADRL CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000793451850 1078175188 /nfs/dbraw/zinc/17/51/88/1078175188.db2.gz JPFLIZHQMKUQBU-UHFFFAOYSA-N -2 0 414.823 2.566 20 0 HFADRL CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)c1 ZINC000793463144 1078179692 /nfs/dbraw/zinc/17/96/92/1078179692.db2.gz CEJNZCZNABPPFN-UHFFFAOYSA-N -2 0 414.823 2.566 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])s1 ZINC000788061011 1077046057 /nfs/dbraw/zinc/04/60/57/1077046057.db2.gz MQVQZBKMXBPQTG-UHFFFAOYSA-N -2 0 418.880 2.799 20 0 HFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000788133464 1077062083 /nfs/dbraw/zinc/06/20/83/1077062083.db2.gz YHTQIFPHSUYTLM-UHFFFAOYSA-N -2 0 424.353 2.768 20 0 HFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)c1Cl ZINC000790006374 1077901020 /nfs/dbraw/zinc/90/10/20/1077901020.db2.gz YWJGXKCLEQDCSD-UHFFFAOYSA-N -2 0 406.851 2.787 20 0 HFADRL CON(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000790088338 1077945377 /nfs/dbraw/zinc/94/53/77/1077945377.db2.gz DWUIPDTVXFGFGA-UHFFFAOYSA-N -2 0 410.423 2.575 20 0 HFADRL COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790382693 1078009823 /nfs/dbraw/zinc/00/98/23/1078009823.db2.gz ZCBNAEDVBFCRPT-UHFFFAOYSA-N -2 0 401.824 2.865 20 0 HFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc(OC)c1 ZINC000790382257 1078009926 /nfs/dbraw/zinc/00/99/26/1078009926.db2.gz QTPYLKACDAWJIO-UHFFFAOYSA-N -2 0 401.824 2.865 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)cc1C(=O)[O-] ZINC000790383979 1078010208 /nfs/dbraw/zinc/01/02/08/1078010208.db2.gz MSUSGKZONQLMPI-UHFFFAOYSA-N -2 0 422.850 2.643 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)cc1C(=O)[O-] ZINC000790395921 1078014678 /nfs/dbraw/zinc/01/46/78/1078014678.db2.gz ZZJKOQDSCMHQPC-UHFFFAOYSA-N -3 0 421.761 2.824 20 0 HFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000790423357 1078023057 /nfs/dbraw/zinc/02/30/57/1078023057.db2.gz IRAJUTBHYFXWRE-UHFFFAOYSA-N -2 0 412.292 2.886 20 0 HFADRL CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1 ZINC000793464150 1078179928 /nfs/dbraw/zinc/17/99/28/1078179928.db2.gz MFFIZEFKUJPYGA-UHFFFAOYSA-N -2 0 420.777 2.835 20 0 HFADRL O=C(OCCOCCOC(=O)c1c(F)cc([O-])cc1F)c1c(F)cc([O-])cc1F ZINC000746985418 1077320048 /nfs/dbraw/zinc/32/00/48/1077320048.db2.gz JIHNBAVYJOTIDI-UHFFFAOYSA-N -2 0 418.295 2.685 20 0 HFADRL CNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790385460 1078011524 /nfs/dbraw/zinc/01/15/24/1078011524.db2.gz SFUGPDILUCQCCW-UHFFFAOYSA-N -2 0 413.839 2.599 20 0 HFADRL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790392709 1078013820 /nfs/dbraw/zinc/01/38/20/1078013820.db2.gz WXIFFVIGWDJBCY-UHFFFAOYSA-N -3 0 415.807 2.554 20 0 HFADRL CNC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790394248 1078014553 /nfs/dbraw/zinc/01/45/53/1078014553.db2.gz OILNJTBOAPFJRE-UHFFFAOYSA-N -2 0 412.851 2.516 20 0 HFADRL CCc1nc(C)c(CNS(=O)(=O)c2sc(C(=O)[O-])cc2Br)o1 ZINC000793346592 1078134896 /nfs/dbraw/zinc/13/48/96/1078134896.db2.gz SVNZWMMEJRDVNZ-UHFFFAOYSA-N -2 0 409.283 2.546 20 0 HFADRL COc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)cn2)cc1 ZINC000793428495 1078169627 /nfs/dbraw/zinc/16/96/27/1078169627.db2.gz DJPUIMPHGWKSBB-UHFFFAOYSA-N -2 0 419.434 2.887 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)cc(Cl)c1F ZINC000790004489 1077900340 /nfs/dbraw/zinc/90/03/40/1077900340.db2.gz AKGOIKFNYOBGPQ-UHFFFAOYSA-N -2 0 410.814 2.618 20 0 HFADRL COC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1 ZINC000790383400 1078010483 /nfs/dbraw/zinc/01/04/83/1078010483.db2.gz KIYUPCXCLMQJAE-UHFFFAOYSA-N -2 0 413.835 2.563 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1C(=O)[O-] ZINC000790387038 1078011602 /nfs/dbraw/zinc/01/16/02/1078011602.db2.gz RVGDSDPXHXYGHL-UHFFFAOYSA-N -2 0 424.862 2.740 20 0 HFADRL CCNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790387816 1078012030 /nfs/dbraw/zinc/01/20/30/1078012030.db2.gz UXWOURJESMKYBI-UHFFFAOYSA-N -2 0 412.851 2.597 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1C(=O)[O-] ZINC000790391205 1078013581 /nfs/dbraw/zinc/01/35/81/1078013581.db2.gz SDDFWYZGNXTWFZ-XMMPIXPASA-N -2 0 403.865 2.585 20 0 HFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1F ZINC000790399393 1078026052 /nfs/dbraw/zinc/02/60/52/1078026052.db2.gz ODKPTMLMWHATKL-UHFFFAOYSA-N -2 0 417.798 2.773 20 0 HFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(OC)c(C)c1OC ZINC000793430641 1078170280 /nfs/dbraw/zinc/17/02/80/1078170280.db2.gz LHACDRCIKLXQPH-UHFFFAOYSA-N -2 0 413.423 2.967 20 0 HFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(OC)c2)c(Cl)cc1F ZINC000788489920 1077178455 /nfs/dbraw/zinc/17/84/55/1077178455.db2.gz QVGSRVKJSJSTSU-UHFFFAOYSA-N -2 0 417.798 2.773 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000788763756 1077280868 /nfs/dbraw/zinc/28/08/68/1077280868.db2.gz YMWMPBDMZBXAKM-UHFFFAOYSA-N -2 0 423.191 2.630 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])ccc1Br ZINC000747072653 1077863693 /nfs/dbraw/zinc/86/36/93/1077863693.db2.gz NEFCQYJWAFNXDP-UHFFFAOYSA-N -2 0 418.196 2.785 20 0 HFADRL O=C([N-]n1cnc2sc3c(c2c1=O)CCCC3)c1nn(-c2ccccc2)cc1[O-] ZINC000790081905 1077926406 /nfs/dbraw/zinc/92/64/06/1077926406.db2.gz AWXJNBJKUWKUJW-UHFFFAOYSA-N -2 0 407.455 2.612 20 0 HFADRL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790395421 1078014807 /nfs/dbraw/zinc/01/48/07/1078014807.db2.gz WNJZVZPNYHATLG-UHFFFAOYSA-N -3 0 415.807 2.554 20 0 HFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(N(C)C)c1 ZINC000790410378 1078020785 /nfs/dbraw/zinc/02/07/85/1078020785.db2.gz SEUPUJOBXMBPJK-UHFFFAOYSA-N -2 0 412.851 2.692 20 0 HFADRL COc1cc(C(F)(F)F)ncc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000790425029 1078023221 /nfs/dbraw/zinc/02/32/21/1078023221.db2.gz TYOUJQLWRBKMTR-UHFFFAOYSA-N -2 0 412.292 2.886 20 0 HFADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])c(F)c(Cl)c1F ZINC000790400183 1078025805 /nfs/dbraw/zinc/02/58/05/1078025805.db2.gz TZJWHKQQWNVOKE-UHFFFAOYSA-N -2 0 405.762 2.840 20 0 HFADRL CCOc1ccc(C(=O)N(C)C)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793407326 1078157936 /nfs/dbraw/zinc/15/79/36/1078157936.db2.gz YCWRVKFXRPOGLZ-UHFFFAOYSA-N -2 0 424.450 2.734 20 0 HFADRL O=C(Nc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1)c1cc(=O)[nH][n-]1 ZINC000804589924 1078625497 /nfs/dbraw/zinc/62/54/97/1078625497.db2.gz LBNSZTFPTGOJFT-UHFFFAOYSA-N -2 0 407.213 2.766 20 0 HFADRL COc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc([N-]S(C)(=O)=O)c1OC ZINC000805259925 1079001131 /nfs/dbraw/zinc/00/11/31/1079001131.db2.gz NKJUPJPCXAAEDQ-UHFFFAOYSA-N -2 0 418.830 2.826 20 0 HFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000788130783 1077061233 /nfs/dbraw/zinc/06/12/33/1077061233.db2.gz JJSBYQWZHKBTJA-UHFFFAOYSA-N -2 0 400.718 2.876 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000788762295 1077279726 /nfs/dbraw/zinc/27/97/26/1077279726.db2.gz PHQDTGLTWMWKNX-UHFFFAOYSA-N -2 0 407.267 2.722 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000788761846 1077279886 /nfs/dbraw/zinc/27/98/86/1077279886.db2.gz NTKXBLYXRRMGFO-UHFFFAOYSA-N -2 0 419.228 2.799 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000788763532 1077280147 /nfs/dbraw/zinc/28/01/47/1077280147.db2.gz UAVZQENNURSOMC-UHFFFAOYSA-N -2 0 419.228 2.799 20 0 HFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c(OC)c1OC ZINC000788743239 1077287026 /nfs/dbraw/zinc/28/70/26/1077287026.db2.gz GHSSEDJPOXQRTH-UHFFFAOYSA-N -2 0 421.427 2.586 20 0 HFADRL Cn1ccc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3Cl)cc2c1=O ZINC000790090042 1077945764 /nfs/dbraw/zinc/94/57/64/1077945764.db2.gz SOFOXEYBKGHEHE-UHFFFAOYSA-N -2 0 410.810 2.830 20 0 HFADRL CON(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000790089901 1077945784 /nfs/dbraw/zinc/94/57/84/1077945784.db2.gz PZMSPCYHDZRTOO-UHFFFAOYSA-N -2 0 416.814 2.612 20 0 HFADRL COc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc(Cl)cc1C(N)=O ZINC000790097979 1077948247 /nfs/dbraw/zinc/94/82/47/1077948247.db2.gz NSXGRRSVOCBWEQ-UHFFFAOYSA-N -2 0 419.242 2.600 20 0 HFADRL COc1cc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)c(Cl)cc1C(=O)[O-] ZINC000790348864 1078000955 /nfs/dbraw/zinc/00/09/55/1078000955.db2.gz SNIWSSVNYZHZBH-UHFFFAOYSA-N -2 0 410.835 2.584 20 0 HFADRL COC(=O)c1c(F)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790387988 1078012040 /nfs/dbraw/zinc/01/20/40/1078012040.db2.gz CPOAXWOELVJYJO-UHFFFAOYSA-N -2 0 417.798 2.773 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ncon3)cc2)cc1C(=O)[O-] ZINC000790391162 1078012968 /nfs/dbraw/zinc/01/29/68/1078012968.db2.gz VLARAUJCEFUVKD-UHFFFAOYSA-N -2 0 409.807 2.898 20 0 HFADRL COC(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790394778 1078014339 /nfs/dbraw/zinc/01/43/39/1078014339.db2.gz VVNAOMRCMNXFBL-UHFFFAOYSA-N -2 0 417.798 2.773 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3c2OCCC3=O)cc1C(=O)[O-] ZINC000790406994 1078019539 /nfs/dbraw/zinc/01/95/39/1078019539.db2.gz ZSCLQDAUYBPGDB-UHFFFAOYSA-N -2 0 411.819 2.813 20 0 HFADRL Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3[O-])cc2)n1 ZINC001129531020 1078522424 /nfs/dbraw/zinc/52/24/24/1078522424.db2.gz SCYUOFVLGUZSSE-UHFFFAOYSA-N -2 0 402.407 2.683 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000788760624 1077279482 /nfs/dbraw/zinc/27/94/82/1077279482.db2.gz ITHNLVQSHMOBDT-UHFFFAOYSA-N -2 0 407.267 2.722 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000788762807 1077280421 /nfs/dbraw/zinc/28/04/21/1077280421.db2.gz SAIRVQVRBAMFGR-UHFFFAOYSA-N -2 0 419.228 2.799 20 0 HFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)c(C)c1CC(=O)[O-] ZINC000790005541 1077900588 /nfs/dbraw/zinc/90/05/88/1077900588.db2.gz OIWVMGLNPBINKJ-QGZVFWFLSA-N -2 0 405.472 2.856 20 0 HFADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cn3c(n2)CCCC3)cc1C(=O)[O-] ZINC000790071139 1077921692 /nfs/dbraw/zinc/92/16/92/1077921692.db2.gz CLMKWNSBIRAVSJ-UHFFFAOYSA-N -2 0 414.281 2.789 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)cc1C(=O)[O-] ZINC000790090072 1077945807 /nfs/dbraw/zinc/94/58/07/1077945807.db2.gz SSVYGLWLZJIWQM-UHFFFAOYSA-N -2 0 422.846 2.700 20 0 HFADRL COc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(C)c3F)cn2)cc1 ZINC000790098425 1077948014 /nfs/dbraw/zinc/94/80/14/1077948014.db2.gz QNSCQHAFJZPAIL-UHFFFAOYSA-N -2 0 419.434 2.887 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)N(C)C)c2)cc1C(=O)[O-] ZINC000790385686 1078011414 /nfs/dbraw/zinc/01/14/14/1078011414.db2.gz VRYMBJRPYMWEMF-UHFFFAOYSA-N -2 0 412.851 2.549 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3nc[nH]n3)c2)cc1C(=O)[O-] ZINC000790390461 1078013168 /nfs/dbraw/zinc/01/31/68/1078013168.db2.gz RGQRTJFGQKIWIC-UHFFFAOYSA-N -2 0 408.823 2.633 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2N(C)C(C)=O)cc1C(=O)[O-] ZINC000790391747 1078013317 /nfs/dbraw/zinc/01/33/17/1078013317.db2.gz WWUIWHWXDOZFMU-UHFFFAOYSA-N -2 0 412.851 2.830 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3ncn(C)n3)cc2)cc1C(=O)[O-] ZINC000790403864 1078027043 /nfs/dbraw/zinc/02/70/43/1078027043.db2.gz KIXARHOMQLYCIB-UHFFFAOYSA-N -2 0 422.850 2.643 20 0 HFADRL O=C([O-])C1(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCCCC1 ZINC000485447590 939229813 /nfs/dbraw/zinc/22/98/13/939229813.db2.gz RGBSRHTUUMDYSP-UHFFFAOYSA-N -2 0 422.528 2.995 20 0 HFADRL Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)nnn1Cc1ccccc1F ZINC000793431863 1078170297 /nfs/dbraw/zinc/17/02/97/1078170297.db2.gz PDQOAQCQHGDSKH-UHFFFAOYSA-N -2 0 422.413 2.720 20 0 HFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)c1F ZINC000788493834 1077180781 /nfs/dbraw/zinc/18/07/81/1077180781.db2.gz LIMGTWUGGPVBDC-UHFFFAOYSA-N -2 0 410.423 2.519 20 0 HFADRL CC(C)Oc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1C(N)=O ZINC000788494590 1077181209 /nfs/dbraw/zinc/18/12/09/1077181209.db2.gz PXURFRCIROEOLD-UHFFFAOYSA-N -2 0 412.851 2.725 20 0 HFADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)c1O ZINC000790004980 1077901012 /nfs/dbraw/zinc/90/10/12/1077901012.db2.gz HWEGFWVQRWVWRA-UHFFFAOYSA-N -2 0 413.835 2.948 20 0 HFADRL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)[N-]OCc1ccc(F)cc1Br ZINC000790045461 1077910150 /nfs/dbraw/zinc/91/01/50/1077910150.db2.gz WHRSMFOXSFCPLN-NSHDSACASA-N -2 0 415.181 2.839 20 0 HFADRL O=C([N-]N1CCc2ccccc2C1=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000790015459 1077914104 /nfs/dbraw/zinc/91/41/04/1077914104.db2.gz HCAAIGYMPLRINZ-UHFFFAOYSA-N -2 0 416.359 2.940 20 0 HFADRL COc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3F)cn2)cc1 ZINC000790091251 1077946055 /nfs/dbraw/zinc/94/60/55/1077946055.db2.gz RJMUFWNPJWBDBR-UHFFFAOYSA-N -2 0 405.407 2.578 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cn(C)nc2C(F)(F)F)cc1C(=O)[O-] ZINC000790406541 1078019634 /nfs/dbraw/zinc/01/96/34/1078019634.db2.gz VMRFWWIPYONZMS-UHFFFAOYSA-N -2 0 413.761 2.600 20 0 HFADRL COC(=O)Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790398619 1078025504 /nfs/dbraw/zinc/02/55/04/1078025504.db2.gz JKRCZZSHMPSQBH-UHFFFAOYSA-N -2 0 413.835 2.563 20 0 HFADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])sc1Br ZINC000790399595 1078026037 /nfs/dbraw/zinc/02/60/37/1078026037.db2.gz QLTUHIIZZNKICD-UHFFFAOYSA-N -2 0 420.262 2.732 20 0 HFADRL CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793368417 1078150772 /nfs/dbraw/zinc/15/07/72/1078150772.db2.gz XWRKBMGLRBQPNV-UHFFFAOYSA-N -2 0 400.815 2.646 20 0 HFADRL COc1cc2c(cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C)NC(=O)CC2 ZINC000793407345 1078157927 /nfs/dbraw/zinc/15/79/27/1078157927.db2.gz FYQFHAYSTNDHLR-UHFFFAOYSA-N -2 0 408.407 2.526 20 0 HFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)CCC(=O)[O-])c1 ZINC000793404474 1078169266 /nfs/dbraw/zinc/16/92/66/1078169266.db2.gz KABBQKCJZUHEDQ-UHFFFAOYSA-N -2 0 409.391 2.681 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)cc(Cl)c1Cl ZINC000746695866 1076863624 /nfs/dbraw/zinc/86/36/24/1076863624.db2.gz SDWXTCKLPRVNEX-JTQLQIEISA-N -2 0 420.274 2.868 20 0 HFADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cnc(Cl)n2C)cc1C(=O)[O-] ZINC000790071883 1077921993 /nfs/dbraw/zinc/92/19/93/1077921993.db2.gz UHJOIDIAXHYIOR-UHFFFAOYSA-N -2 0 408.661 2.643 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1C(=O)[O-] ZINC000790382771 1078010009 /nfs/dbraw/zinc/01/00/09/1078010009.db2.gz FLDAEKGSVPNSDX-UHFFFAOYSA-N -2 0 419.242 2.600 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)Nc2c(F)ccc(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000790390850 1078012933 /nfs/dbraw/zinc/01/29/33/1078012933.db2.gz GUUGQEVLVWAUFM-UHFFFAOYSA-N -2 0 417.798 2.993 20 0 HFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)ccc1C ZINC000790392814 1078013770 /nfs/dbraw/zinc/01/37/70/1078013770.db2.gz BHPPINJUHCIXMC-UHFFFAOYSA-N -2 0 413.835 2.943 20 0 HFADRL COC(=O)c1cc(Cl)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c1O ZINC000793434049 1078171090 /nfs/dbraw/zinc/17/10/90/1078171090.db2.gz XFPBCXPESCHTAV-UHFFFAOYSA-N -2 0 417.798 2.779 20 0 HFADRL COc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c(OC)n1 ZINC000746696515 1076862284 /nfs/dbraw/zinc/86/22/84/1076862284.db2.gz YRRNLCYXPLAXGF-UHFFFAOYSA-N -2 0 407.231 2.905 20 0 HFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(OC(C)C)c2)cc1C(=O)[O-] ZINC000788493771 1077180573 /nfs/dbraw/zinc/18/05/73/1077180573.db2.gz KRNMNBHEPSKYQB-UHFFFAOYSA-N -2 0 410.423 2.519 20 0 HFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2OC)cc1C(=O)[O-] ZINC000788759354 1077278523 /nfs/dbraw/zinc/27/85/23/1077278523.db2.gz CCIADXRCNPTLPF-UHFFFAOYSA-N -2 0 415.265 2.914 20 0 HFADRL CON(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000790086363 1077944789 /nfs/dbraw/zinc/94/47/89/1077944789.db2.gz DOHNPLHAJYACMA-UHFFFAOYSA-N -2 0 416.814 2.612 20 0 HFADRL CON(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000790088553 1077945132 /nfs/dbraw/zinc/94/51/32/1077945132.db2.gz HHZCWJGDFGOGLR-UHFFFAOYSA-N -2 0 410.423 2.575 20 0 HFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3ccn(C)c(=O)c3c2)c1Cl ZINC000790091136 1077946072 /nfs/dbraw/zinc/94/60/72/1077946072.db2.gz OOZJANAUJSZMBR-UHFFFAOYSA-N -2 0 406.847 2.999 20 0 HFADRL COc1ccc(Cn2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cn2)cc1 ZINC000790098585 1077948058 /nfs/dbraw/zinc/94/80/58/1077948058.db2.gz SNXDGAFWEVMANC-UHFFFAOYSA-N -2 0 405.407 2.578 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2C(N)=O)cc1C(=O)[O-] ZINC000790395303 1078011171 /nfs/dbraw/zinc/01/11/71/1078011171.db2.gz TZIZOTJRUWIYKM-UHFFFAOYSA-N -2 0 419.242 2.600 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cnn(CC(F)(F)F)c2)cc1C(=O)[O-] ZINC000790388778 1078012376 /nfs/dbraw/zinc/01/23/76/1078012376.db2.gz HMRJQCCNVLKCIP-UHFFFAOYSA-N -2 0 413.761 2.606 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3n[nH]c(C)n3)c2)cc1C(=O)[O-] ZINC000790395044 1078014387 /nfs/dbraw/zinc/01/43/87/1078014387.db2.gz ZSHXRRZCVAPQQA-UHFFFAOYSA-N -2 0 422.850 2.941 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C[S@](C)=O)cc1C(=O)[O-] ZINC000790406905 1078019651 /nfs/dbraw/zinc/01/96/51/1078019651.db2.gz XUCVIOUOORMWSI-VWLOTQADSA-N -2 0 417.892 2.726 20 0 HFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000793394851 1078165843 /nfs/dbraw/zinc/16/58/43/1078165843.db2.gz NMLHUDYQNKXVQE-UHFFFAOYSA-N -2 0 419.390 2.517 20 0 HFADRL CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)[N-]c1ccc(Cl)nc1C ZINC000788495314 1077181821 /nfs/dbraw/zinc/18/18/21/1077181821.db2.gz HDTUOEPYJGGIBL-UHFFFAOYSA-N -2 0 419.912 2.614 20 0 HFADRL O=C([N-]c1nnc([N-]S(=O)(=O)c2ccccc2)s1)c1nc(Cl)cs1 ZINC000789906041 1077856819 /nfs/dbraw/zinc/85/68/19/1077856819.db2.gz JMBLSJSLSDQAEU-UHFFFAOYSA-N -2 0 401.882 2.701 20 0 HFADRL O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c1 ZINC000747072889 1077862180 /nfs/dbraw/zinc/86/21/80/1077862180.db2.gz SVTFJUHENKXVDI-UHFFFAOYSA-N -3 0 418.196 2.785 20 0 HFADRL COc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(F)c(F)c(C(=O)[O-])c3)cn2)cc1 ZINC000790092086 1077946360 /nfs/dbraw/zinc/94/63/60/1077946360.db2.gz ZUBQAOBMTVLJEM-UHFFFAOYSA-N -2 0 423.397 2.717 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(C)n3)cc2)cc1C(=O)[O-] ZINC000790387613 1078012221 /nfs/dbraw/zinc/01/22/21/1078012221.db2.gz BRCILFIBUZPOOH-UHFFFAOYSA-N -2 0 422.850 2.941 20 0 HFADRL COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000499195133 939231201 /nfs/dbraw/zinc/23/12/01/939231201.db2.gz WGBCOFQNQFFBEV-UHFFFAOYSA-N -2 0 418.471 2.623 20 0 HFADRL COc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793385118 1078162079 /nfs/dbraw/zinc/16/20/79/1078162079.db2.gz NSQSKFUBXKIYQA-UHFFFAOYSA-N -3 0 417.798 2.993 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[nH]cc3C(=O)[O-])s1 ZINC000788055242 1077043424 /nfs/dbraw/zinc/04/34/24/1077043424.db2.gz CXLIQKVHQXMAQO-UHFFFAOYSA-N -2 0 423.472 2.627 20 0 HFADRL O=S(=O)(c1ccccc1)N1CCN(CCNc2cc([S-])cc([S-])c2)CC1 ZINC001170108619 1077609266 /nfs/dbraw/zinc/60/92/66/1077609266.db2.gz SVLCUMVMHRHZAK-UHFFFAOYSA-N -2 0 409.602 2.682 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C)cc1C(=O)[O-] ZINC000790382291 1078009889 /nfs/dbraw/zinc/00/98/89/1078009889.db2.gz AGFWQVKTXNIAJG-UHFFFAOYSA-N -2 0 412.851 2.549 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC3)c2)cc1C(=O)[O-] ZINC000790383319 1078010513 /nfs/dbraw/zinc/01/05/13/1078010513.db2.gz IOMNLQGGVOEJTR-UHFFFAOYSA-N -2 0 424.862 2.740 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000790386386 1078011967 /nfs/dbraw/zinc/01/19/67/1078011967.db2.gz XKQBSZYLQIPSOB-UHFFFAOYSA-N -2 0 403.771 2.685 20 0 HFADRL CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1C ZINC000790394333 1078014796 /nfs/dbraw/zinc/01/47/96/1078014796.db2.gz QGYXSDNUOJRSHC-UHFFFAOYSA-N -2 0 412.851 2.516 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc3c2CCN3C(C)=O)cc1C(=O)[O-] ZINC000790402996 1078026515 /nfs/dbraw/zinc/02/65/15/1078026515.db2.gz GRNDLMKTHGAOIW-UHFFFAOYSA-N -2 0 424.862 2.757 20 0 HFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)c(C)c1CC(=O)[O-] ZINC000790005540 1077900564 /nfs/dbraw/zinc/90/05/64/1077900564.db2.gz OIWVMGLNPBINKJ-KRWDZBQOSA-N -2 0 405.472 2.856 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)cc(Cl)c1F ZINC000790006395 1077901247 /nfs/dbraw/zinc/90/12/47/1077901247.db2.gz ZVRMHHCQKPENII-ZDUSSCGKSA-N -2 0 401.799 2.794 20 0 HFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C(=O)N(C)OC ZINC000790088579 1077945176 /nfs/dbraw/zinc/94/51/76/1077945176.db2.gz HTSAMDQSCNQRJP-UHFFFAOYSA-N -2 0 410.423 2.521 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C[S@](C)=O)c2)cc1C(=O)[O-] ZINC000790388828 1078012444 /nfs/dbraw/zinc/01/24/44/1078012444.db2.gz IFTZXHZXBWHXSF-VWLOTQADSA-N -2 0 417.892 2.726 20 0 HFADRL Cc1nc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)c(Br)n1C ZINC000806633076 1079888319 /nfs/dbraw/zinc/88/83/19/1079888319.db2.gz ASTNLNVZOSGAPU-UHFFFAOYSA-N -2 0 416.297 2.699 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)s1 ZINC000788053339 1077042903 /nfs/dbraw/zinc/04/29/03/1077042903.db2.gz KBPQAKJKXJPBIF-UHFFFAOYSA-N -2 0 418.880 2.799 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000788763560 1077280847 /nfs/dbraw/zinc/28/08/47/1077280847.db2.gz VDIBHBVXWBCZTQ-UHFFFAOYSA-N -2 0 401.238 2.660 20 0 HFADRL CON(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000790087211 1077945142 /nfs/dbraw/zinc/94/51/42/1077945142.db2.gz PGFJGFPGAGKJFP-UHFFFAOYSA-N -2 0 416.814 2.612 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)cc1C(=O)[O-] ZINC000790347915 1078000975 /nfs/dbraw/zinc/00/09/75/1078000975.db2.gz HMCSIZWGEVEACK-UHFFFAOYSA-N -2 0 410.835 2.584 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(C[S@@](C)=O)c2)cc1C(=O)[O-] ZINC000790388809 1078012425 /nfs/dbraw/zinc/01/24/25/1078012425.db2.gz IFTZXHZXBWHXSF-RUZDIDTESA-N -2 0 417.892 2.726 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1C(=O)[O-] ZINC000790397324 1078025223 /nfs/dbraw/zinc/02/52/23/1078025223.db2.gz CLFBCYNLVXMRIY-UHFFFAOYSA-N -3 0 403.771 2.685 20 0 HFADRL CCCc1ccc([N-]S(=O)(=O)c2nc(C)n(C)c2Br)c(C(=O)[O-])c1 ZINC000806633119 1079888562 /nfs/dbraw/zinc/88/85/62/1079888562.db2.gz CJARMFAAIOSXHB-UHFFFAOYSA-N -2 0 416.297 2.943 20 0 HFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)ccc1C(=O)[O-] ZINC000788489687 1077178374 /nfs/dbraw/zinc/17/83/74/1077178374.db2.gz NNBUEDZASIEVGA-UHFFFAOYSA-N -2 0 412.851 2.549 20 0 HFADRL Cc1c(Br)cc([N-]S(=O)(=O)c2ncn(C)c2Cl)cc1C(=O)[O-] ZINC000790071109 1077921736 /nfs/dbraw/zinc/92/17/36/1077921736.db2.gz ASUHXRHMPRNBAB-UHFFFAOYSA-N -2 0 408.661 2.643 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1C(=O)[O-] ZINC000790391202 1078013617 /nfs/dbraw/zinc/01/36/17/1078013617.db2.gz SDDFWYZGNXTWFZ-DEOSSOPVSA-N -2 0 403.865 2.585 20 0 HFADRL CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790393044 1078013640 /nfs/dbraw/zinc/01/36/40/1078013640.db2.gz BZOQQVVAWKPPMY-UHFFFAOYSA-N -2 0 412.851 2.597 20 0 HFADRL COC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790393966 1078013953 /nfs/dbraw/zinc/01/39/53/1078013953.db2.gz NNLJACWHAOAWHF-UHFFFAOYSA-N -2 0 413.835 2.943 20 0 HFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(N(C)C)c1 ZINC000790410931 1078020400 /nfs/dbraw/zinc/02/04/00/1078020400.db2.gz XBNZIBQHYPNLHV-UHFFFAOYSA-N -2 0 412.851 2.692 20 0 HFADRL Cc1nc(S(=O)(=O)[N-]c2c(C)ccc(Cl)c2C(=O)[O-])c(Br)n1C ZINC000806634545 1079889910 /nfs/dbraw/zinc/88/99/10/1079889910.db2.gz LVWBXHDRENCMRU-UHFFFAOYSA-N -2 0 422.688 2.952 20 0 HFADRL CCOc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793393601 1078165538 /nfs/dbraw/zinc/16/55/38/1078165538.db2.gz FUBNCYNPLYDMGQ-UHFFFAOYSA-N -3 0 415.370 2.869 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000788062219 1077046677 /nfs/dbraw/zinc/04/66/77/1077046677.db2.gz ULESOZXTGLCWGP-UHFFFAOYSA-N -2 0 418.880 2.799 20 0 HFADRL CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)c(Cl)c3F)ccc21 ZINC000788488679 1077178015 /nfs/dbraw/zinc/17/80/15/1077178015.db2.gz DQQZNZHWXOIWHY-UHFFFAOYSA-N -2 0 416.789 2.636 20 0 HFADRL CON(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000790086684 1077944739 /nfs/dbraw/zinc/94/47/39/1077944739.db2.gz JKFJQRJQKQTNAC-UHFFFAOYSA-N -2 0 416.814 2.612 20 0 HFADRL COc1c([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)cc1C(N)=O ZINC000790098045 1077948277 /nfs/dbraw/zinc/94/82/77/1077948277.db2.gz OTPJQAAYNAPAOZ-UHFFFAOYSA-N -2 0 419.242 2.600 20 0 HFADRL COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)ccc1F ZINC000790383991 1078010098 /nfs/dbraw/zinc/01/00/98/1078010098.db2.gz NDCJSSFJFPZMTN-UHFFFAOYSA-N -2 0 417.798 2.773 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)cc1C(=O)[O-] ZINC000790384671 1078010814 /nfs/dbraw/zinc/01/08/14/1078010814.db2.gz PNOOYZLZOIQOCS-UHFFFAOYSA-N -2 0 424.862 2.974 20 0 HFADRL COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3cc(Cl)c([O-])cc3F)cc2)[n-]1 ZINC000805259252 1079628317 /nfs/dbraw/zinc/62/83/17/1079628317.db2.gz QFZJENWKESCXDC-UHFFFAOYSA-N -2 0 419.796 2.632 20 0 HFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000806634616 1079889035 /nfs/dbraw/zinc/88/90/35/1079889035.db2.gz JGPAPACTUKGYLQ-UHFFFAOYSA-N -2 0 402.270 2.552 20 0 HFADRL Cc1nc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])c(Br)n1C ZINC000806633689 1079890315 /nfs/dbraw/zinc/89/03/15/1079890315.db2.gz ACACDPMGGODCDA-UHFFFAOYSA-N -2 0 402.270 2.607 20 0 HFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)c(C(=O)NC2CC2)c1 ZINC000793392329 1078165201 /nfs/dbraw/zinc/16/52/01/1078165201.db2.gz IPTXFBSPMNCNGG-UHFFFAOYSA-N -2 0 422.434 2.534 20 0 HFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)c1O ZINC000788754791 1077277564 /nfs/dbraw/zinc/27/75/64/1077277564.db2.gz VMIJNLAWOVEJDF-UHFFFAOYSA-N -3 0 407.734 2.521 20 0 HFADRL COc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cc(F)c3F)cn2)cc1 ZINC000790092023 1077946323 /nfs/dbraw/zinc/94/63/23/1077946323.db2.gz XPEZUVQCONBLON-UHFFFAOYSA-N -2 0 423.397 2.717 20 0 HFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c(OC)c1 ZINC000790382251 1078010231 /nfs/dbraw/zinc/01/02/31/1078010231.db2.gz QJJDHLURHHOEMM-UHFFFAOYSA-N -2 0 401.824 2.865 20 0 HFADRL COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1C ZINC000790390015 1078012596 /nfs/dbraw/zinc/01/25/96/1078012596.db2.gz OIIAMNZXDQHWOT-UHFFFAOYSA-N -2 0 413.835 2.943 20 0 HFADRL COCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790392731 1078013809 /nfs/dbraw/zinc/01/38/09/1078013809.db2.gz XQHJMMNMMYPTCI-UHFFFAOYSA-N -2 0 415.851 2.873 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2C[S@@](C)=O)cc1C(=O)[O-] ZINC000790406903 1078019721 /nfs/dbraw/zinc/01/97/21/1078019721.db2.gz XUCVIOUOORMWSI-RUZDIDTESA-N -2 0 417.892 2.726 20 0 HFADRL Cc1nc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)c(Br)n1C ZINC000806633805 1079890324 /nfs/dbraw/zinc/89/03/24/1079890324.db2.gz FLEZDOGZMPNKNK-UHFFFAOYSA-N -2 0 402.270 2.607 20 0 HFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(-c2cccc(O)c2)nc1 ZINC000793388736 1078163603 /nfs/dbraw/zinc/16/36/03/1078163603.db2.gz PWACFZBSUZZZHC-UHFFFAOYSA-N -2 0 403.391 2.796 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(F)c(C)cc2C(=O)[O-])s1 ZINC000788084063 1077054765 /nfs/dbraw/zinc/05/47/65/1077054765.db2.gz WUDSBUIVYRYSES-UHFFFAOYSA-N -2 0 416.452 2.593 20 0 HFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2O)c(C)c1Cl ZINC000788438438 1077147328 /nfs/dbraw/zinc/14/73/28/1077147328.db2.gz JHHZFELXMRQQOM-UHFFFAOYSA-N -2 0 405.837 2.701 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000788761462 1077279278 /nfs/dbraw/zinc/27/92/78/1077279278.db2.gz KVMHDDYPFXVUIG-UHFFFAOYSA-N -2 0 415.265 2.969 20 0 HFADRL CON(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000790086342 1077944784 /nfs/dbraw/zinc/94/47/84/1077944784.db2.gz CRYFENJEAXUQEJ-UHFFFAOYSA-N -2 0 410.423 2.575 20 0 HFADRL COc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(C)c(F)c(C(=O)[O-])c3)cn2)cc1 ZINC000790096756 1077947242 /nfs/dbraw/zinc/94/72/42/1077947242.db2.gz AAPWDZGWGSMRCA-UHFFFAOYSA-N -2 0 419.434 2.887 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1C(=O)[O-] ZINC000790387730 1078012132 /nfs/dbraw/zinc/01/21/32/1078012132.db2.gz UGSMDRLWQQTNSM-UHFFFAOYSA-N -2 0 424.862 2.974 20 0 HFADRL Cc1nc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c(Br)n1C ZINC000806639904 1079897928 /nfs/dbraw/zinc/89/79/28/1079897928.db2.gz XFNWVLPEGFMTJJ-UHFFFAOYSA-N -2 0 416.297 2.699 20 0 HFADRL COCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)cc(C(=O)OC)c1 ZINC000793452894 1078176104 /nfs/dbraw/zinc/17/61/04/1078176104.db2.gz MRQIHSSCQXRNIK-UHFFFAOYSA-N -2 0 411.407 2.566 20 0 HFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000788130175 1077061219 /nfs/dbraw/zinc/06/12/19/1077061219.db2.gz FFGUVNLCISNPBZ-UHFFFAOYSA-N -2 0 404.391 2.938 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])c(Br)s1 ZINC000747072612 1077863374 /nfs/dbraw/zinc/86/33/74/1077863374.db2.gz IQKFPLKVSWQBNU-UHFFFAOYSA-N -3 0 424.225 2.847 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1C(=O)[O-] ZINC000790383352 1078010546 /nfs/dbraw/zinc/01/05/46/1078010546.db2.gz JGEQGZMHHFOLPP-UHFFFAOYSA-N -2 0 419.242 2.600 20 0 HFADRL COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(OC)cc1Cl ZINC000790385483 1078011298 /nfs/dbraw/zinc/01/12/98/1078011298.db2.gz HRAXBHVEEHZKIG-UHFFFAOYSA-N -2 0 405.837 2.696 20 0 HFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(Cl)nc2C)c(OC)c1OC ZINC000806633367 1079887742 /nfs/dbraw/zinc/88/77/42/1079887742.db2.gz NDTGEFQHOQHNRB-UHFFFAOYSA-N -2 0 416.839 2.568 20 0 HFADRL Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@](C)(C(=O)[O-])C3CC3)c2)c1 ZINC000539603605 939283477 /nfs/dbraw/zinc/28/34/77/939283477.db2.gz IEHBDVUOQWAYOH-HXUWFJFHSA-N -2 0 402.472 2.779 20 0 HFADRL COc1ccc(Cn2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(F)cc3C)n2)cc1 ZINC000793411107 1078158792 /nfs/dbraw/zinc/15/87/92/1078158792.db2.gz YKEZVAMSROJNIM-UHFFFAOYSA-N -2 0 419.434 2.887 20 0 HFADRL CC(=O)Nc1cc(F)c(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793387727 1078163249 /nfs/dbraw/zinc/16/32/49/1078163249.db2.gz GQCRMTJKMPJSKZ-UHFFFAOYSA-N -2 0 402.350 2.870 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2C(=O)NC3)cc(Cl)c1Cl ZINC000746696084 1076863411 /nfs/dbraw/zinc/86/34/11/1076863411.db2.gz KXXSJWQYWJQRPR-UHFFFAOYSA-N -2 0 401.227 2.736 20 0 HFADRL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(CCNC(=O)OC)s1 ZINC000788058171 1077044828 /nfs/dbraw/zinc/04/48/28/1077044828.db2.gz NWIAORHDVQGSJL-UHFFFAOYSA-N -2 0 412.489 2.708 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000788761842 1077279800 /nfs/dbraw/zinc/27/98/00/1077279800.db2.gz NOZMZPNSPGFGRG-UHFFFAOYSA-N -2 0 415.265 2.671 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CC3)cc1C(=O)[O-] ZINC000790393385 1078014218 /nfs/dbraw/zinc/01/42/18/1078014218.db2.gz IFLCQEXTJPJVCZ-UHFFFAOYSA-N -2 0 410.835 2.732 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cnn(C)c2C(F)(F)F)cc1C(=O)[O-] ZINC000790404413 1078019193 /nfs/dbraw/zinc/01/91/93/1078019193.db2.gz QHECBPNANGWXPF-UHFFFAOYSA-N -2 0 413.761 2.600 20 0 HFADRL Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000766943262 939075146 /nfs/dbraw/zinc/07/51/46/939075146.db2.gz XRIDCQZVKAKESS-CQSZACIVSA-N -2 0 416.377 2.812 20 0 HFADRL O=C([O-])C1(NC(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)CCCC1 ZINC000769480940 939086195 /nfs/dbraw/zinc/08/61/95/939086195.db2.gz RHFOVCPXEFGNLQ-UHFFFAOYSA-N 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COC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc(Cl)c1F ZINC000790425949 1078023341 /nfs/dbraw/zinc/02/33/41/1078023341.db2.gz YJFABFKSTQPROQ-UHFFFAOYSA-N -2 0 405.762 2.904 20 0 HFADRL COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(Cl)c2[O-])c(OC)c1OC ZINC000549721839 450603344 /nfs/dbraw/zinc/60/33/44/450603344.db2.gz XINDDIDDTSQSIF-UHFFFAOYSA-N -3 0 417.823 2.570 20 0 HFADRL O=C([O-])C1(NC(=O)Cc2ccc([N-]S(=O)(=O)c3cccs3)cc2)CCCC1 ZINC000499178123 939230600 /nfs/dbraw/zinc/23/06/00/939230600.db2.gz SEFGVYKQCTVYJV-UHFFFAOYSA-N -2 0 408.501 2.605 20 0 HFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1Cl ZINC000793360750 1078147464 /nfs/dbraw/zinc/14/74/64/1078147464.db2.gz KPAAHSZLDZEENE-UHFFFAOYSA-N -2 0 421.224 2.564 20 0 HFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000793351311 1078156474 /nfs/dbraw/zinc/15/64/74/1078156474.db2.gz BOSBCEDQYXLXBX-UHFFFAOYSA-N -2 0 406.435 2.869 20 0 HFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c(C)c1Cl ZINC000788439461 1077147723 /nfs/dbraw/zinc/14/77/23/1077147723.db2.gz UFOFRNFNWXZJCG-UHFFFAOYSA-N -2 0 405.837 2.701 20 0 HFADRL CCOC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000788501681 1077183733 /nfs/dbraw/zinc/18/37/33/1077183733.db2.gz ZAEIPGDBNGVCPS-UHFFFAOYSA-N -2 0 402.428 2.854 20 0 HFADRL CON(C)C(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000790089333 1077945595 /nfs/dbraw/zinc/94/55/95/1077945595.db2.gz LUCQXPFZZAXVSB-UHFFFAOYSA-N -2 0 410.423 2.575 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(N(C)C(C)=O)c2)cc1C(=O)[O-] ZINC000790393394 1078014071 /nfs/dbraw/zinc/01/40/71/1078014071.db2.gz IIYJYHAQEMBDOL-UHFFFAOYSA-N -2 0 412.851 2.830 20 0 HFADRL COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c(C(=O)[O-])c1 ZINC000790398649 1078025555 /nfs/dbraw/zinc/02/55/55/1078025555.db2.gz KKFFGGRRVOUBDR-UHFFFAOYSA-N -2 0 415.807 2.554 20 0 HFADRL Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000766943260 939075263 /nfs/dbraw/zinc/07/52/63/939075263.db2.gz XRIDCQZVKAKESS-AWEZNQCLSA-N -2 0 416.377 2.812 20 0 HFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(CCNC(=O)OC)s2)c(C(=O)[O-])c1 ZINC000788058442 1077044573 /nfs/dbraw/zinc/04/45/73/1077044573.db2.gz NDLICYCZSYVTFA-UHFFFAOYSA-N -2 0 412.489 2.708 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)s1 ZINC000788082908 1077054688 /nfs/dbraw/zinc/05/46/88/1077054688.db2.gz LFZUZNPHHYHIBV-UHFFFAOYSA-N -2 0 412.489 2.762 20 0 HFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(O)c2)c(C)c1Cl ZINC000788438051 1077146576 /nfs/dbraw/zinc/14/65/76/1077146576.db2.gz HALVGEHORCZPCZ-UHFFFAOYSA-N -2 0 405.837 2.701 20 0 HFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)ccc1C(=O)[O-] ZINC000788489988 1077178400 /nfs/dbraw/zinc/17/84/00/1077178400.db2.gz UKGUUKSZYNFSNX-UHFFFAOYSA-N -3 0 415.807 2.554 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000788763780 1077280818 /nfs/dbraw/zinc/28/08/18/1077280818.db2.gz YXLFXNQWWALONS-UHFFFAOYSA-N -2 0 415.265 2.969 20 0 HFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)cc3)nc2)c1Cl ZINC000790006379 1077901253 /nfs/dbraw/zinc/90/12/53/1077901253.db2.gz ZAWSKBXRRXNZDZ-UHFFFAOYSA-N -2 0 419.846 2.693 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cc3c(cc2C(=O)[O-])OCO3)cc1OC ZINC000790627951 1078081908 /nfs/dbraw/zinc/08/19/08/1078081908.db2.gz VSBHCKSNGJQFBT-UHFFFAOYSA-N -2 0 415.807 2.585 20 0 HFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)ccc1C(=O)N(C)C ZINC000793356202 1078146307 /nfs/dbraw/zinc/14/63/07/1078146307.db2.gz BUNHGQUBQVYBPD-UHFFFAOYSA-N -2 0 414.842 2.988 20 0 HFADRL COCCOc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793389475 1078164204 /nfs/dbraw/zinc/16/42/04/1078164204.db2.gz VMELAPSGOMVBMM-UHFFFAOYSA-N -2 0 401.387 2.797 20 0 HFADRL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793405071 1078169075 /nfs/dbraw/zinc/16/90/75/1078169075.db2.gz LTQDNJLPIZNWIH-UHFFFAOYSA-N -3 0 411.407 2.659 20 0 HFADRL COCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cc(C(=O)OC)c1 ZINC000793454325 1078192051 /nfs/dbraw/zinc/19/20/51/1078192051.db2.gz ZLNNXWROCMMLQD-UHFFFAOYSA-N -2 0 413.835 2.772 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])s1 ZINC000788052506 1077042317 /nfs/dbraw/zinc/04/23/17/1077042317.db2.gz FNSMQNKSUDDESB-UHFFFAOYSA-N -2 0 416.452 2.593 20 0 HFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)c(Cl)c2F)ccc1C(=O)[O-] ZINC000788490121 1077178408 /nfs/dbraw/zinc/17/84/08/1077178408.db2.gz VZASBKMBJNMXAA-UHFFFAOYSA-N -3 0 421.761 2.824 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000788759566 1077278819 /nfs/dbraw/zinc/27/88/19/1077278819.db2.gz DDKYICVVJLAPGU-UHFFFAOYSA-N -2 0 423.191 2.630 20 0 HFADRL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc(Br)c(C)c(C(=O)[O-])c1 ZINC000790071398 1077921662 /nfs/dbraw/zinc/92/16/62/1077921662.db2.gz HMJXFSUUZWMNGP-UHFFFAOYSA-N -2 0 422.688 2.952 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(N3CCC3=O)c2)c(F)c(Cl)c1F ZINC000790351472 1078002117 /nfs/dbraw/zinc/00/21/17/1078002117.db2.gz VHTUHQQMSSCOSE-UHFFFAOYSA-N -2 0 416.789 2.854 20 0 HFADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000790398570 1078025727 /nfs/dbraw/zinc/02/57/27/1078025727.db2.gz LOXSHWWDEFIJPO-UHFFFAOYSA-N -2 0 414.233 2.671 20 0 HFADRL CCOc1cc(C(=O)N(C)C)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793407385 1078158268 /nfs/dbraw/zinc/15/82/68/1078158268.db2.gz YZSQVEKQNQGKRS-UHFFFAOYSA-N -2 0 424.450 2.734 20 0 HFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000793414776 1078160148 /nfs/dbraw/zinc/16/01/48/1078160148.db2.gz FFPLLTXMCWJYMQ-UHFFFAOYSA-N -2 0 422.434 2.932 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000788761553 1077279232 /nfs/dbraw/zinc/27/92/32/1077279232.db2.gz KTIKRKDQAGRCOM-UHFFFAOYSA-N -2 0 401.238 2.660 20 0 HFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)N(C)OC)cc1C(=O)[O-] ZINC000790089999 1077945818 /nfs/dbraw/zinc/94/58/18/1077945818.db2.gz RWHIPRXDQCIPDM-UHFFFAOYSA-N -2 0 410.423 2.521 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2c3ccccc3oc2C(N)=O)cc1C(=O)[O-] ZINC000790382289 1078010003 /nfs/dbraw/zinc/01/00/03/1078010003.db2.gz ADQYIMNAIXZQBT-UHFFFAOYSA-N -2 0 424.818 2.693 20 0 HFADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790388280 1078012543 /nfs/dbraw/zinc/01/25/43/1078012543.db2.gz ZJZNGBBAHVNTED-UHFFFAOYSA-N -2 0 413.835 2.943 20 0 HFADRL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000806633634 1079890463 /nfs/dbraw/zinc/89/04/63/1079890463.db2.gz ZCSAEKDBWFBLLW-UHFFFAOYSA-N -2 0 420.310 2.712 20 0 HFADRL Cc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC000766825928 939074697 /nfs/dbraw/zinc/07/46/97/939074697.db2.gz WMGYOXOCPBJHBH-UHFFFAOYSA-N -2 0 408.398 2.774 20 0 HFADRL CCc1nc(-c2ccccc2[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)n[nH]1 ZINC000793411525 1078159488 /nfs/dbraw/zinc/15/94/88/1078159488.db2.gz JUGQAMITULFADC-UHFFFAOYSA-N -2 0 404.423 2.981 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1C ZINC000793426069 1078179027 /nfs/dbraw/zinc/17/90/27/1078179027.db2.gz AMJDNQXLRDZXKT-UHFFFAOYSA-N -2 0 419.228 2.799 20 0 HFADRL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000805257031 1079000473 /nfs/dbraw/zinc/00/04/73/1079000473.db2.gz OBAICSZDTABAEG-UHFFFAOYSA-N -2 0 414.842 2.927 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])s1 ZINC000788055490 1077043606 /nfs/dbraw/zinc/04/36/06/1077043606.db2.gz SWDJHWIMKPUILL-UHFFFAOYSA-N -2 0 412.489 2.762 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C(=O)[O-])s1 ZINC000788057063 1077044162 /nfs/dbraw/zinc/04/41/62/1077044162.db2.gz GNQIXFLOFAFOEN-UHFFFAOYSA-N -2 0 418.880 2.799 20 0 HFADRL CC(=O)[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000788220187 1077082239 /nfs/dbraw/zinc/08/22/39/1077082239.db2.gz KCCHKUKCCMQEIV-UHFFFAOYSA-N -2 0 423.299 2.619 20 0 HFADRL CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1C ZINC000788488076 1077177589 /nfs/dbraw/zinc/17/75/89/1077177589.db2.gz DEPLHFKILINKBP-UHFFFAOYSA-N -2 0 413.402 2.914 20 0 HFADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)cc1C(=O)[O-] ZINC000790071471 1077921737 /nfs/dbraw/zinc/92/17/37/1077921737.db2.gz KROQQBKXZGQVLO-UHFFFAOYSA-N -2 0 408.661 2.643 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nc[nH]n3)cc2)cc1C(=O)[O-] ZINC000790389330 1078012853 /nfs/dbraw/zinc/01/28/53/1078012853.db2.gz KUSSWQLCXRGJSA-UHFFFAOYSA-N -2 0 408.823 2.633 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1C(=O)[O-] ZINC000790391798 1078013280 /nfs/dbraw/zinc/01/32/80/1078013280.db2.gz MUTGMLMIPSHHPO-UHFFFAOYSA-N -3 0 403.771 2.685 20 0 HFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(Cl)cc2c1OCC(=O)N2 ZINC000793444535 1078173209 /nfs/dbraw/zinc/17/32/09/1078173209.db2.gz RBGBGJXLEVZLJU-UHFFFAOYSA-N -2 0 414.798 2.617 20 0 HFADRL CCOC(=O)c1cc(COC)cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000793451825 1078175173 /nfs/dbraw/zinc/17/51/73/1078175173.db2.gz ISVNUSLVRASBDI-UHFFFAOYSA-N -2 0 411.407 2.648 20 0 HFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(C)c1Cl ZINC000788439038 1077146983 /nfs/dbraw/zinc/14/69/83/1077146983.db2.gz PFCAZDVWLLMCQX-UHFFFAOYSA-N -2 0 403.865 2.924 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000788761475 1077279197 /nfs/dbraw/zinc/27/91/97/1077279197.db2.gz LJCKXGAPJFBDPC-UHFFFAOYSA-N -2 0 419.228 2.799 20 0 HFADRL CNC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790384397 1078011076 /nfs/dbraw/zinc/01/10/76/1078011076.db2.gz OIHMSTJCNWQIQX-UHFFFAOYSA-N -2 0 412.851 2.516 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1C(=O)[O-] ZINC000790385545 1078011572 /nfs/dbraw/zinc/01/15/72/1078011572.db2.gz SWZMHQGFMQZETQ-UHFFFAOYSA-N -2 0 412.851 2.549 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c(NC(C)=O)c2)cc1C(=O)[O-] ZINC000790386562 1078011747 /nfs/dbraw/zinc/01/17/47/1078011747.db2.gz YWGXLXOPFCACJY-UHFFFAOYSA-N -2 0 416.814 2.945 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-n3cc[nH]c3=O)c2)cc1C(=O)[O-] ZINC000790390063 1078012695 /nfs/dbraw/zinc/01/26/95/1078012695.db2.gz AGAZVWQCNHABDM-UHFFFAOYSA-N -2 0 423.834 2.739 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccnc2OCC(F)F)cc1C(=O)[O-] ZINC000790398617 1078025489 /nfs/dbraw/zinc/02/54/89/1078025489.db2.gz JKMLVDNKTPOCFR-UHFFFAOYSA-N -2 0 422.793 2.887 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2-c2nc[nH]n2)cc1C(=O)[O-] ZINC000790399568 1078025839 /nfs/dbraw/zinc/02/58/39/1078025839.db2.gz RJXTVCVJWGFLLR-UHFFFAOYSA-N -2 0 408.823 2.633 20 0 HFADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)c(Br)n1C ZINC000806634100 1079889666 /nfs/dbraw/zinc/88/96/66/1079889666.db2.gz CYUUYERRXYCRJH-SECBINFHSA-N -2 0 416.297 2.555 20 0 HFADRL CS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1Cl ZINC000788060921 1077046296 /nfs/dbraw/zinc/04/62/96/1077046296.db2.gz DAFMFTRPZNUKLT-UHFFFAOYSA-N -2 0 424.283 2.896 20 0 HFADRL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)c1 ZINC000788754836 1077277498 /nfs/dbraw/zinc/27/74/98/1077277498.db2.gz WGBDCXWNJNIIFL-UHFFFAOYSA-N -3 0 406.199 2.896 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(N)=O)cc1C(=O)[O-] ZINC000790390915 1078013152 /nfs/dbraw/zinc/01/31/52/1078013152.db2.gz HTIYBZDJOJXQLK-UHFFFAOYSA-N -2 0 419.242 2.600 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2F)cc1C(=O)[O-] ZINC000790395433 1078014695 /nfs/dbraw/zinc/01/46/95/1078014695.db2.gz WTVNNDLMPCWEMJ-UHFFFAOYSA-N -2 0 403.771 2.685 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000788761692 1077279863 /nfs/dbraw/zinc/27/98/63/1077279863.db2.gz NMESUOZOODVVOJ-UHFFFAOYSA-N -2 0 415.265 2.969 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)cc(Cl)c1F ZINC000790006394 1077901275 /nfs/dbraw/zinc/90/12/75/1077901275.db2.gz ZVRMHHCQKPENII-CYBMUJFWSA-N -2 0 401.799 2.794 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-c3ncn(C)n3)c2)cc1C(=O)[O-] ZINC000790406968 1078019450 /nfs/dbraw/zinc/01/94/50/1078019450.db2.gz YVSPWIRVLYSONM-UHFFFAOYSA-N -2 0 422.850 2.643 20 0 HFADRL CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1sc(C(=O)[O-])cc1Br ZINC000790396642 1078024802 /nfs/dbraw/zinc/02/48/02/1078024802.db2.gz BENYHAJKDSYLNY-UHFFFAOYSA-N -2 0 420.262 2.732 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2cccc(-n3cnnc3C)c2)cc1C(=O)[O-] ZINC000790397933 1078025002 /nfs/dbraw/zinc/02/50/02/1078025002.db2.gz HBXBZKXQKHVYDO-UHFFFAOYSA-N -2 0 422.850 2.737 20 0 HFADRL COC(=O)c1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790399566 1078025793 /nfs/dbraw/zinc/02/57/93/1078025793.db2.gz RHFGDGFZDGWZCD-UHFFFAOYSA-N -2 0 405.837 2.696 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccn(CC(F)(F)F)n2)cc1C(=O)[O-] ZINC000790399564 1078025892 /nfs/dbraw/zinc/02/58/92/1078025892.db2.gz RBPFWHLULHTKLF-UHFFFAOYSA-N -2 0 413.761 2.606 20 0 HFADRL Cc1nc(S(=O)(=O)[N-]c2c(C)c(Cl)ccc2C(=O)[O-])c(Br)n1C ZINC000806633450 1079888970 /nfs/dbraw/zinc/88/89/70/1079888970.db2.gz QWSSYVFWYMHSFA-UHFFFAOYSA-N -2 0 422.688 2.952 20 0 HFADRL COC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])s1 ZINC000788057738 1077044092 /nfs/dbraw/zinc/04/40/92/1077044092.db2.gz LALXXYIZDFFFMV-UHFFFAOYSA-N -2 0 412.489 2.762 20 0 HFADRL COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(C)c1Cl ZINC000788437685 1077146599 /nfs/dbraw/zinc/14/65/99/1077146599.db2.gz CJMLHKVOYYWXGM-UHFFFAOYSA-N -2 0 403.865 2.924 20 0 HFADRL COc1cc(NS(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)ccc1C(=O)[O-] ZINC000788489077 1077177986 /nfs/dbraw/zinc/17/79/86/1077177986.db2.gz HEHHSCONQVPCLX-UHFFFAOYSA-N -2 0 403.771 2.685 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000788760725 1077279574 /nfs/dbraw/zinc/27/95/74/1077279574.db2.gz KBCUHDYURZIMIZ-UHFFFAOYSA-N -2 0 419.228 2.799 20 0 HFADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)ccc1OCCCC(=O)[O-] ZINC000790004589 1077900061 /nfs/dbraw/zinc/90/00/61/1077900061.db2.gz DAYWPLHQISCFPP-QGZVFWFLSA-N -2 0 421.471 2.855 20 0 HFADRL COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1C ZINC000790384003 1078010183 /nfs/dbraw/zinc/01/01/83/1078010183.db2.gz NPDREDVZHFAPLV-UHFFFAOYSA-N -2 0 413.835 2.943 20 0 HFADRL COCCOc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)c1 ZINC000790393941 1078014010 /nfs/dbraw/zinc/01/40/10/1078014010.db2.gz MABHMKNISWWWCT-UHFFFAOYSA-N -2 0 415.851 2.873 20 0 HFADRL CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(OC)cc2Cl)cc1 ZINC000790394721 1078014373 /nfs/dbraw/zinc/01/43/73/1078014373.db2.gz UXUAMHRLGPCZKU-UHFFFAOYSA-N -2 0 412.851 2.597 20 0 HFADRL O=C([O-])C1(NC(=O)Nc2cccc(S(=O)(=O)[N-]c3nccs3)c2)CCCCC1 ZINC000581407574 939777985 /nfs/dbraw/zinc/77/79/85/939777985.db2.gz SGRRZGNQEVPQGP-UHFFFAOYSA-N -2 0 424.504 2.853 20 0 HFADRL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000793351362 1078156489 /nfs/dbraw/zinc/15/64/89/1078156489.db2.gz WSDQXYRHGJGHLA-UHFFFAOYSA-N -2 0 421.446 2.639 20 0 HFADRL COCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)cc(C(=O)OC)c1 ZINC000793453459 1078191761 /nfs/dbraw/zinc/19/17/61/1078191761.db2.gz QLNFRUMLSPRTMJ-UHFFFAOYSA-N -2 0 411.407 2.566 20 0 HFADRL COC(C)(CNc1c2c(ccc1Br)[nH]cc2OP(=O)([O-])[O-])OC ZINC001170436960 1078291561 /nfs/dbraw/zinc/29/15/61/1078291561.db2.gz ARVROXQINPMAKP-UHFFFAOYSA-N -2 0 409.173 2.823 20 0 HFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(Cl)c(S(C)(=O)=O)c2)c1F ZINC000788063073 1077047544 /nfs/dbraw/zinc/04/75/44/1077047544.db2.gz SCDPRZWMNPLIPQ-UHFFFAOYSA-N -2 0 421.855 2.690 20 0 HFADRL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)nc1OC ZINC000788762696 1077280448 /nfs/dbraw/zinc/28/04/48/1077280448.db2.gz QOHBONRSZBPXPD-UHFFFAOYSA-N -2 0 415.265 2.914 20 0 HFADRL Cc1c(Br)cc([N-]S(=O)(=O)c2cnn(CC3CC3)c2)cc1C(=O)[O-] ZINC000790072022 1077921931 /nfs/dbraw/zinc/92/19/31/1077921931.db2.gz VGZHFBZTNMRMKW-UHFFFAOYSA-N -2 0 414.281 2.863 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000788763553 1077280058 /nfs/dbraw/zinc/28/00/58/1077280058.db2.gz UWHQCFRBEIMVPQ-UHFFFAOYSA-N -2 0 401.238 2.660 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000788762769 1077280332 /nfs/dbraw/zinc/28/03/32/1077280332.db2.gz RLRHOFJRHYDIHW-UHFFFAOYSA-N -2 0 401.238 2.660 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)c(Br)o1 ZINC000788735914 1077285395 /nfs/dbraw/zinc/28/53/95/1077285395.db2.gz AWJTWTOHNNURCK-UHFFFAOYSA-N -2 0 410.192 2.811 20 0 HFADRL COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)c1O ZINC000790005077 1077900747 /nfs/dbraw/zinc/90/07/47/1077900747.db2.gz KSZKOPJUDHKBOF-UHFFFAOYSA-N -2 0 417.798 2.779 20 0 HFADRL Cn1ncc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2OC(F)(F)F)c1C1CC1 ZINC000792699431 1077977772 /nfs/dbraw/zinc/97/77/72/1077977772.db2.gz USRPGPVEVKAHKV-UHFFFAOYSA-N -2 0 405.354 2.695 20 0 HFADRL COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000499181409 939230669 /nfs/dbraw/zinc/23/06/69/939230669.db2.gz OJSSCBPINRHVQS-UHFFFAOYSA-N -2 0 418.471 2.623 20 0 HFADRL COC(=O)c1cc(S(=O)(=O)[N-]c2cc3ccccc3cc2C(=O)[O-])cnc1C ZINC000793380530 1078149291 /nfs/dbraw/zinc/14/92/91/1078149291.db2.gz IRRUGIZCRHNQLH-UHFFFAOYSA-N -2 0 400.412 2.829 20 0 HFADRL CNC(=O)Oc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)c1 ZINC000793464778 1078180558 /nfs/dbraw/zinc/18/05/58/1078180558.db2.gz SFJBNULKMBVKLF-UHFFFAOYSA-N -2 0 402.787 2.696 20 0 HFADRL CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000805261468 1079002127 /nfs/dbraw/zinc/00/21/27/1079002127.db2.gz BDANDSGXCSRMAZ-UHFFFAOYSA-N -2 0 415.830 2.767 20 0 HFADRL Cc1onc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(OCCCC(=O)[O-])c(C)c1 ZINC000788132569 1077061663 /nfs/dbraw/zinc/06/16/63/1077061663.db2.gz QHZRTDBXGYPYIM-UHFFFAOYSA-N -2 0 420.390 2.937 20 0 HFADRL COc1nc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000788759673 1077279345 /nfs/dbraw/zinc/27/93/45/1077279345.db2.gz FJZDGCOHUFJVEN-UHFFFAOYSA-N -2 0 415.265 2.969 20 0 HFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)cc3)nc2)cc(Cl)c1F ZINC000790004646 1077900018 /nfs/dbraw/zinc/90/00/18/1077900018.db2.gz DTPZXQLNHISOEB-UHFFFAOYSA-N -2 0 423.809 2.524 20 0 HFADRL Cc1cc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)ccc1OCCCC(=O)[O-] ZINC000790004585 1077900091 /nfs/dbraw/zinc/90/00/91/1077900091.db2.gz DAYWPLHQISCFPP-KRWDZBQOSA-N -2 0 421.471 2.855 20 0 HFADRL CC(C)(C)OC(=O)C[C@H]1C[C@@H](CNc2ccc(P(=O)([O-])[O-])cc2)OC(C)(C)O1 ZINC001170211261 1077908113 /nfs/dbraw/zinc/90/81/13/1077908113.db2.gz URMKGINYPDXZRR-CABCVRRESA-N -2 0 415.423 2.544 20 0 HFADRL COc1ccc(Cn2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])c(C)cc3F)cn2)cc1 ZINC000790097202 1077947821 /nfs/dbraw/zinc/94/78/21/1077947821.db2.gz GUUBKCRYQXLWBK-UHFFFAOYSA-N -2 0 419.434 2.887 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC3)cc2)cc1C(=O)[O-] ZINC000790384015 1078010142 /nfs/dbraw/zinc/01/01/42/1078010142.db2.gz NWPLXTNFULZOEK-UHFFFAOYSA-N -2 0 424.862 2.740 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2F)cc1C(=O)[O-] ZINC000790385549 1078011634 /nfs/dbraw/zinc/01/16/34/1078011634.db2.gz TVMJBXZYVCKONN-UHFFFAOYSA-N -2 0 403.771 2.685 20 0 HFADRL COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cc1C(=O)[O-] ZINC000790393945 1078013965 /nfs/dbraw/zinc/01/39/65/1078013965.db2.gz MCWFJHRVKDKIDK-UHFFFAOYSA-N -2 0 403.771 2.685 20 0 HFADRL Cc1nc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)c(Br)n1C ZINC000806634101 1079890303 /nfs/dbraw/zinc/89/03/03/1079890303.db2.gz CYUUYERRXYCRJH-VIFPVBQESA-N -2 0 416.297 2.555 20 0 HFADRL