smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)c(C)c1O ZINC000187058158 712731598 /nfs/dbraw/zinc/73/15/98/712731598.db2.gz DHKOYSDOKHBZLF-UHFFFAOYSA-N -1 1 368.386 3.474 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCN(Cc3ccco3)CC2)c1 ZINC000781895210 724608193 /nfs/dbraw/zinc/60/81/93/724608193.db2.gz QALDFDDKIZPXGW-UHFFFAOYSA-N -1 1 365.271 3.374 20 10 FGCDMM CC(C)(C)c1ncc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000783943753 724805876 /nfs/dbraw/zinc/80/58/76/724805876.db2.gz KSGFGXKORKQJPF-FNORWQNLSA-N -1 1 361.419 3.291 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000743058997 722563571 /nfs/dbraw/zinc/56/35/71/722563571.db2.gz QCUBZMKZMLKAJZ-DELQEKLWSA-N -1 1 355.868 3.387 20 10 FGCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])[C@@H](CC)CN1C(C)=O ZINC000752090600 722844965 /nfs/dbraw/zinc/84/49/65/722844965.db2.gz BCKCMJVVYWQNFI-DLBZAZTESA-N -1 1 366.889 3.470 20 10 FGCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000762000903 723205383 /nfs/dbraw/zinc/20/53/83/723205383.db2.gz RFEMZUQLJXRROS-UHFFFAOYSA-N -1 1 361.419 3.355 20 10 FGCDMM CSc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000792701812 723358325 /nfs/dbraw/zinc/35/83/25/723358325.db2.gz BIYDFEOYEMMXDG-UHFFFAOYSA-N -1 1 373.839 3.267 20 10 FGCDMM NC(=O)[C@@H](NCc1cccc(Cl)c1[O-])c1cccc(Br)c1 ZINC000793265743 723418729 /nfs/dbraw/zinc/41/87/29/723418729.db2.gz JIUIWYUZOJCIKA-ZDUSSCGKSA-N -1 1 369.646 3.124 20 10 FGCDMM O=C(NCc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000764748684 723442222 /nfs/dbraw/zinc/44/22/22/723442222.db2.gz ZHBVIQWSUIKNSF-UHFFFAOYSA-N -1 1 353.191 3.293 20 10 FGCDMM CO[C@]1(C)C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764791086 723446276 /nfs/dbraw/zinc/44/62/76/723446276.db2.gz MKTBODZSWCFXCD-MLGOLLRUSA-N -1 1 371.275 3.158 20 10 FGCDMM CCCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764933007 723460965 /nfs/dbraw/zinc/46/09/65/723460965.db2.gz AXEKHFITLJYVOL-UHFFFAOYSA-N -1 1 364.243 3.302 20 10 FGCDMM C[C@@H]1CCCC[C@H]1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765747972 723537563 /nfs/dbraw/zinc/53/75/63/723537563.db2.gz SDHGXVZSJOGIIX-BXUZGUMPSA-N -1 1 356.260 3.366 20 10 FGCDMM COc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765755110 723538327 /nfs/dbraw/zinc/53/83/27/723538327.db2.gz ZXEMIZBQPGYSMY-UHFFFAOYSA-N -1 1 350.212 3.022 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2cccnc2)on1 ZINC000765764471 723539213 /nfs/dbraw/zinc/53/92/13/723539213.db2.gz KRFAUZAKENLHAV-UHFFFAOYSA-N -1 1 374.194 3.135 20 10 FGCDMM Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1c([O-])ccc(Cl)c1F ZINC000796365435 723634727 /nfs/dbraw/zinc/63/47/27/723634727.db2.gz YYSLSGFVCMYMAJ-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](COC(C)C)C2)c1 ZINC000770689128 723719170 /nfs/dbraw/zinc/71/91/70/723719170.db2.gz NTSGTISVRYNUED-AWEZNQCLSA-N -1 1 358.276 3.089 20 10 FGCDMM COc1ccc(CN(CCO)Cc2cc(Cl)cc(F)c2[O-])c(OC)c1 ZINC000775695077 724026552 /nfs/dbraw/zinc/02/65/52/724026552.db2.gz GBWJGRLINIFYLU-UHFFFAOYSA-N -1 1 369.820 3.196 20 10 FGCDMM C[C@@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1ncnn1C ZINC000788980881 725100718 /nfs/dbraw/zinc/10/07/18/725100718.db2.gz AQLSPKPIUXSHFK-JGVFFNPUSA-N -1 1 359.655 3.348 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2[C@H]2CCCC2=O)c1 ZINC000789567436 725136718 /nfs/dbraw/zinc/13/67/18/725136718.db2.gz SFYUXWRIIYMMDD-HIFRSBDPSA-N -1 1 368.271 3.033 20 10 FGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnccc1C(F)(F)F ZINC000808115562 725184766 /nfs/dbraw/zinc/18/47/66/725184766.db2.gz JLVRPSLAOVISAV-UHFFFAOYSA-N -1 1 370.711 3.399 20 10 FGCDMM COCCNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816608137 727180197 /nfs/dbraw/zinc/18/01/97/727180197.db2.gz QBULTPRIRVBMGO-UHFFFAOYSA-N -1 1 352.793 3.173 20 10 FGCDMM O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1)C(F)(F)F ZINC000816614659 727180820 /nfs/dbraw/zinc/18/08/20/727180820.db2.gz BTXVETRTDZLPCC-VIFPVBQESA-N -1 1 368.758 3.075 20 10 FGCDMM CS(=O)(=O)CCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000826861866 729417293 /nfs/dbraw/zinc/41/72/93/729417293.db2.gz LWFSRSQGIKIYNL-UHFFFAOYSA-N -1 1 373.833 3.220 20 10 FGCDMM C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cc(Br)c(F)cc1[O-] ZINC000850498874 731364849 /nfs/dbraw/zinc/36/48/49/731364849.db2.gz FEURDYSQOUUHDE-RGNHYFCHSA-N -1 1 355.211 3.242 20 10 FGCDMM C[C@H](CCC(=O)NCc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC000890759520 739827675 /nfs/dbraw/zinc/82/76/75/739827675.db2.gz MNAARERPSMAEOL-LLVKDONJSA-N -1 1 356.850 3.355 20 10 FGCDMM COCCOc1cc(OC)ccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759865 739827983 /nfs/dbraw/zinc/82/79/83/739827983.db2.gz SVKGEMWGEMTUEX-UHFFFAOYSA-N -1 1 365.813 3.009 20 10 FGCDMM C[C@H](CC(=O)NCc1cccc(Cl)c1[O-])n1cc(Br)cn1 ZINC000890761218 739828473 /nfs/dbraw/zinc/82/84/73/739828473.db2.gz NMZRUBFQPOBAMG-SECBINFHSA-N -1 1 372.650 3.272 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])C1(c2ccc3c(c2)OCCO3)CC1 ZINC000890763176 739829022 /nfs/dbraw/zinc/82/90/22/739829022.db2.gz QAWZSELCFUHYKD-UHFFFAOYSA-N -1 1 359.809 3.165 20 10 FGCDMM Cc1nc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC000896229212 742518076 /nfs/dbraw/zinc/51/80/76/742518076.db2.gz ARDSOHLKEOZDPA-SECBINFHSA-N -1 1 372.650 3.489 20 10 FGCDMM O=C(NCCc1nc2c(s1)CCC2)NCc1cccc(Cl)c1[O-] ZINC000896668427 742580518 /nfs/dbraw/zinc/58/05/18/742580518.db2.gz ZKMWSPNXCPUMED-UHFFFAOYSA-N -1 1 351.859 3.033 20 10 FGCDMM CC(C)(C)OC(=O)NCc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000899341269 742908827 /nfs/dbraw/zinc/90/88/27/742908827.db2.gz YCHYHNDJAQCPOJ-XYOKQWHBSA-N -1 1 350.465 3.200 20 10 FGCDMM CC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2n1CCCCC2 ZINC000273563001 496841262 /nfs/dbraw/zinc/84/12/62/496841262.db2.gz IRIQJXRBJZKQKP-DOMZBBRYSA-N -1 1 359.430 3.420 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCOC2(CCC2)C1 ZINC000277750771 496874362 /nfs/dbraw/zinc/87/43/62/496874362.db2.gz NKXDOPWTTZMYDO-LBPRGKRZSA-N -1 1 369.259 3.056 20 10 FGCDMM CC(=O)N1CCN(Cc2cccc(NCc3cccc(Cl)c3[O-])c2)CC1 ZINC000188766417 496902110 /nfs/dbraw/zinc/90/21/10/496902110.db2.gz UYYATGPADAIPKI-UHFFFAOYSA-N -1 1 373.884 3.322 20 10 FGCDMM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000279771297 497536320 /nfs/dbraw/zinc/53/63/20/497536320.db2.gz STWYPQQKIFIMCW-DLBZAZTESA-N -1 1 359.491 3.390 20 10 FGCDMM O=C(c1ccc(F)cc1)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000296265724 497977956 /nfs/dbraw/zinc/97/79/56/497977956.db2.gz MCAYEVCCFLXPKK-UHFFFAOYSA-N -1 1 361.344 3.111 20 10 FGCDMM CC[N@@H+](CC(=O)[O-])Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C)oc21 ZINC000737074563 600027580 /nfs/dbraw/zinc/02/75/80/600027580.db2.gz HZSILGYYALHEMO-UHFFFAOYSA-N -1 1 367.401 3.381 20 10 FGCDMM Cn1c(CC[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc2ccccc21 ZINC000739013156 600209134 /nfs/dbraw/zinc/20/91/34/600209134.db2.gz XAYHMENGOZSHTI-UHFFFAOYSA-N -1 1 373.840 3.062 20 10 FGCDMM Cn1c(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])nc2ccccc21 ZINC000739013156 600209137 /nfs/dbraw/zinc/20/91/37/600209137.db2.gz XAYHMENGOZSHTI-UHFFFAOYSA-N -1 1 373.840 3.062 20 10 FGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000300438278 604681740 /nfs/dbraw/zinc/68/17/40/604681740.db2.gz VASFAIWKAZBSRH-HONMWMINSA-N -1 1 354.244 3.372 20 10 FGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000300438278 604681743 /nfs/dbraw/zinc/68/17/43/604681743.db2.gz VASFAIWKAZBSRH-HONMWMINSA-N -1 1 354.244 3.372 20 10 FGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000833420212 605549281 /nfs/dbraw/zinc/54/92/81/605549281.db2.gz OPFCRHGGQNMQCA-LBPRGKRZSA-N -1 1 356.260 3.478 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc(O)cc3)CC2)c1[O-] ZINC000177226576 705614131 /nfs/dbraw/zinc/61/41/31/705614131.db2.gz CMQPJYLSTWDLKO-UHFFFAOYSA-N -1 1 360.841 3.276 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000180346746 705736225 /nfs/dbraw/zinc/73/62/25/705736225.db2.gz WJCJFLIUUHWYGX-UHFFFAOYSA-N -1 1 374.340 3.035 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/C1=Cc2cc(Br)ccc2OC1 ZINC000221220551 713568925 /nfs/dbraw/zinc/56/89/25/713568925.db2.gz ORCHEVQYGCNYPP-NYYWCZLTSA-N -1 1 354.250 3.257 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2nnc3ccccn32)c1 ZINC000781906100 724610555 /nfs/dbraw/zinc/61/05/55/724610555.db2.gz TXPCPYBMPKHAIQ-UHFFFAOYSA-N -1 1 361.243 3.138 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000743059003 722563574 /nfs/dbraw/zinc/56/35/74/722563574.db2.gz QCUBZMKZMLKAJZ-NUBYWOLOSA-N -1 1 355.868 3.387 20 10 FGCDMM Cc1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Cl)c1Cl ZINC000784387078 724848835 /nfs/dbraw/zinc/84/88/35/724848835.db2.gz DBHXJVLZPQRDND-UHFFFAOYSA-N -1 1 356.161 3.148 20 10 FGCDMM O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1c([O-])c(O)ccc1F ZINC000789994282 723092294 /nfs/dbraw/zinc/09/22/94/723092294.db2.gz ALFNFJKWEKNBCV-VIFPVBQESA-N -1 1 368.767 3.038 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1[O-] ZINC000790384407 723134185 /nfs/dbraw/zinc/13/41/85/723134185.db2.gz HGVUQOMFNIGVHO-RRUGBERISA-N -1 1 353.846 3.017 20 10 FGCDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000761996737 723204731 /nfs/dbraw/zinc/20/47/31/723204731.db2.gz XZEKRIZEUHIZQN-UHFFFAOYSA-N -1 1 371.436 3.048 20 10 FGCDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000793394855 723433905 /nfs/dbraw/zinc/43/39/05/723433905.db2.gz NPBVTYDZGDOVNC-UHFFFAOYSA-N -1 1 369.826 3.332 20 10 FGCDMM O=C(NCc1ccc(Cl)nc1)NCc1cccc(Br)c1[O-] ZINC000764764593 723443483 /nfs/dbraw/zinc/44/34/83/723443483.db2.gz QQQZRDAGACOJDQ-UHFFFAOYSA-N -1 1 370.634 3.203 20 10 FGCDMM O=C(NCc1cccc(Br)c1O)c1c([O-])cccc1Cl ZINC000765725993 723535071 /nfs/dbraw/zinc/53/50/71/723535071.db2.gz BMKNGQUOIGBFLS-UHFFFAOYSA-N -1 1 356.603 3.444 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC(=O)c2ccccc21 ZINC000765730949 723536008 /nfs/dbraw/zinc/53/60/08/723536008.db2.gz DQTTWDCFOKJNGJ-ZDUSSCGKSA-N -1 1 360.207 3.141 20 10 FGCDMM [O-]c1c(Br)cccc1CNC(=S)NCc1cccs1 ZINC000765993241 723550650 /nfs/dbraw/zinc/55/06/50/723550650.db2.gz UUYWVWNOPBPECR-UHFFFAOYSA-N -1 1 357.298 3.381 20 10 FGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000766048770 723552948 /nfs/dbraw/zinc/55/29/48/723552948.db2.gz VQGNFDDYOUNZLU-UHFFFAOYSA-N -1 1 361.419 3.109 20 10 FGCDMM Cc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1F ZINC000766200759 723560779 /nfs/dbraw/zinc/56/07/79/723560779.db2.gz NPPXLXSETNJDRB-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000767716135 723630962 /nfs/dbraw/zinc/63/09/62/723630962.db2.gz NUFMSTYOTKZWEQ-UHFFFAOYSA-N -1 1 362.451 3.105 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000796559842 723643722 /nfs/dbraw/zinc/64/37/22/723643722.db2.gz DFDAECZCUDXADD-GOSISDBHSA-N -1 1 353.846 3.018 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1coc(C2CCC2)n1 ZINC000768305280 723653450 /nfs/dbraw/zinc/65/34/50/723653450.db2.gz UTVJPTDRMLMCQQ-UHFFFAOYSA-N -1 1 351.200 3.340 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc2c1CCO2 ZINC000797670817 723847487 /nfs/dbraw/zinc/84/74/87/723847487.db2.gz WMVGXCBYMXUYPN-UHFFFAOYSA-N -1 1 363.211 3.411 20 10 FGCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C/c1ccccc1Cl ZINC000775287042 723976172 /nfs/dbraw/zinc/97/61/72/723976172.db2.gz HFALAWMEGZFBMM-CMDGGOBGSA-N -1 1 367.810 3.245 20 10 FGCDMM COc1cc(OC)cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775291790 723977294 /nfs/dbraw/zinc/97/72/94/723977294.db2.gz OXGZHICGHZRKQE-UHFFFAOYSA-N -1 1 351.424 3.135 20 10 FGCDMM CCC1(CC)CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CCS1(=O)=O ZINC000778486337 724336832 /nfs/dbraw/zinc/33/68/32/724336832.db2.gz VQZKQOHDYWKVCE-UHFFFAOYSA-N -1 1 373.902 3.037 20 10 FGCDMM COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc(Cl)c1[O-] ZINC000785562468 724921595 /nfs/dbraw/zinc/92/15/95/724921595.db2.gz FZAWCLIDWOAURO-UHFFFAOYSA-N -1 1 352.793 3.189 20 10 FGCDMM CC(C)C[C@H](C(=O)NCc1cccc(Br)c1[O-])n1ccnc1 ZINC000822459031 729177226 /nfs/dbraw/zinc/17/72/26/729177226.db2.gz NPEBITDLQFPMJD-CQSZACIVSA-N -1 1 366.259 3.255 20 10 FGCDMM CCCCN(Cc1ccccc1O)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000831416740 729641170 /nfs/dbraw/zinc/64/11/70/729641170.db2.gz VFUKZYBJWUXBOS-UHFFFAOYSA-N -1 1 356.451 3.166 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCC1(F)F ZINC000836605085 729962358 /nfs/dbraw/zinc/96/23/58/729962358.db2.gz ZLRCYPQSXKNPEW-SNVBAGLBSA-N -1 1 363.202 3.389 20 10 FGCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(Cl)c(F)c1 ZINC000844649584 730746190 /nfs/dbraw/zinc/74/61/90/730746190.db2.gz KDWIMNURQUUCSX-UHFFFAOYSA-N -1 1 370.833 3.117 20 10 FGCDMM COCC1(C(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000857194125 732110695 /nfs/dbraw/zinc/11/06/95/732110695.db2.gz CPVZCYSMXMHPIC-UHFFFAOYSA-N -1 1 356.260 3.368 20 10 FGCDMM CC(C)=CCSC[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864513308 733070243 /nfs/dbraw/zinc/07/02/43/733070243.db2.gz ZKYFEUMCBDPZHS-CYBMUJFWSA-N -1 1 374.300 3.397 20 10 FGCDMM [O-]c1c(CN2CCC(O)(c3c(F)cccc3F)CC2)ccc(F)c1F ZINC000877435399 736218770 /nfs/dbraw/zinc/21/87/70/736218770.db2.gz DYDDNIRWBDSJJG-UHFFFAOYSA-N -1 1 355.331 3.432 20 10 FGCDMM COC[C@@H](C)n1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000883094012 737522319 /nfs/dbraw/zinc/52/23/19/737522319.db2.gz MSCSGVOTZBPESD-SECBINFHSA-N -1 1 358.211 3.310 20 10 FGCDMM CC(C)(C)n1ncnc1CNCc1cc(Cl)cc(Br)c1[O-] ZINC000883112196 737524708 /nfs/dbraw/zinc/52/47/08/737524708.db2.gz DBBUGIKQYOPOMG-UHFFFAOYSA-N -1 1 373.682 3.444 20 10 FGCDMM CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916617612 758109172 /nfs/dbraw/zinc/10/91/72/758109172.db2.gz NROFKDCTIGZXHP-UHFFFAOYSA-N -1 1 364.781 3.335 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)[N-]C1=S ZINC000920974225 758627301 /nfs/dbraw/zinc/62/73/01/758627301.db2.gz DQFRZEPCBYTMEF-UXBLZVDNSA-N -1 1 372.277 3.189 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN[C@@H]([C@H]2CCOC2)C(F)(F)F)c1[O-] ZINC000933012711 761300868 /nfs/dbraw/zinc/30/08/68/761300868.db2.gz KIWIWOXPWFNHEZ-XPTSAGLGSA-N -1 1 351.752 3.305 20 10 FGCDMM Cc1noc(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n1 ZINC000091834789 494696423 /nfs/dbraw/zinc/69/64/23/494696423.db2.gz NOVHLYHEGRMESQ-UHFFFAOYSA-N -1 1 352.778 3.025 20 10 FGCDMM Cc1nc(C2CC2)oc1C(=O)NCc1cccc(Br)c1[O-] ZINC000277572733 496817402 /nfs/dbraw/zinc/81/74/02/496817402.db2.gz QUENTSITBLYLGC-UHFFFAOYSA-N -1 1 351.200 3.259 20 10 FGCDMM C[C@@H]1CCC[C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)C1 ZINC000273996741 496986521 /nfs/dbraw/zinc/98/65/21/496986521.db2.gz UGNMAQRNPVJVNX-MNOVXSKESA-N -1 1 351.428 3.107 20 10 FGCDMM CC(C)[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277272385 497792577 /nfs/dbraw/zinc/79/25/77/497792577.db2.gz AEPPMZLZPBCWQD-TZMCWYRMSA-N -1 1 371.275 3.158 20 10 FGCDMM Cc1nc([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)no1 ZINC000362385588 498507052 /nfs/dbraw/zinc/50/70/52/498507052.db2.gz CDVQKSKDAHCAJY-LLVKDONJSA-N -1 1 352.232 3.226 20 10 FGCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1O ZINC000290561260 498598180 /nfs/dbraw/zinc/59/81/80/498598180.db2.gz RWELKCOZIDIGDI-UHFFFAOYSA-N -1 1 357.378 3.396 20 10 FGCDMM COc1c([O-])c(CN2CCCC[C@@H]2c2noc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000365810671 498649590 /nfs/dbraw/zinc/64/95/90/498649590.db2.gz CDMUPCJTYCZLDG-CQSZACIVSA-N -1 1 374.397 3.297 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H](C1CC1)C(F)(F)F ZINC000288290049 498986196 /nfs/dbraw/zinc/98/61/96/498986196.db2.gz CMUMJOQHWIXMOP-NSHDSACASA-N -1 1 367.165 3.295 20 10 FGCDMM CC(C)(C)c1cnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000819965316 606720510 /nfs/dbraw/zinc/72/05/10/606720510.db2.gz AZKZZYBFRYHBJG-UHFFFAOYSA-N -1 1 363.428 3.075 20 10 FGCDMM CC(C)(C)c1cnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000819965316 606720512 /nfs/dbraw/zinc/72/05/12/606720512.db2.gz AZKZZYBFRYHBJG-UHFFFAOYSA-N -1 1 363.428 3.075 20 10 FGCDMM COc1ccc(N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1F ZINC000084937403 700365318 /nfs/dbraw/zinc/36/53/18/700365318.db2.gz IWLSBFILQNXWPT-UHFFFAOYSA-N -1 1 364.804 3.156 20 10 FGCDMM Cc1nnnn1-c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000098039213 700464647 /nfs/dbraw/zinc/46/46/47/700464647.db2.gz RQNAYBLRUPGREK-UHFFFAOYSA-N -1 1 360.215 3.051 20 10 FGCDMM CSCc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1F ZINC000783982997 724810163 /nfs/dbraw/zinc/81/01/63/724810163.db2.gz HHZQCDPVXODPLK-UHFFFAOYSA-N -1 1 350.367 3.140 20 10 FGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000747658007 722654999 /nfs/dbraw/zinc/65/49/99/722654999.db2.gz IWLNBSYWBCVTEK-UHFFFAOYSA-N -1 1 358.254 3.414 20 10 FGCDMM O=C([O-])[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1Br ZINC000756347904 722963237 /nfs/dbraw/zinc/96/32/37/722963237.db2.gz IRSQENKVJHQYKA-MRXNPFEDSA-N -1 1 362.223 3.300 20 10 FGCDMM O=C(NCCc1ccc(Br)s1)c1c(F)ccc(O)c1[O-] ZINC000789964263 723089292 /nfs/dbraw/zinc/08/92/92/723089292.db2.gz OXGQJBOOTLFLDE-UHFFFAOYSA-N -1 1 360.204 3.033 20 10 FGCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000761995897 723204797 /nfs/dbraw/zinc/20/47/97/723204797.db2.gz OUBJCPUGNDIULM-UHFFFAOYSA-N -1 1 369.414 3.139 20 10 FGCDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000793410608 723435369 /nfs/dbraw/zinc/43/53/69/723435369.db2.gz FFCMTBNXESQXJQ-UHFFFAOYSA-N -1 1 369.826 3.332 20 10 FGCDMM CCO[C@H](CCNC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000764791945 723446234 /nfs/dbraw/zinc/44/62/34/723446234.db2.gz PVDZBGXGOCDRBZ-CQSZACIVSA-N -1 1 373.291 3.405 20 10 FGCDMM CO[C@@H]1[C@H](C)[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764804355 723448338 /nfs/dbraw/zinc/44/83/38/723448338.db2.gz FPZMVBGOXFHEFF-BIGNPOOSSA-N -1 1 371.275 3.013 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC1Cc2ccccc2C1 ZINC000764808557 723449022 /nfs/dbraw/zinc/44/90/22/723449022.db2.gz ZICCAEIECSYYTL-UHFFFAOYSA-N -1 1 361.239 3.121 20 10 FGCDMM CCOC(=O)c1cccnc1NCc1cccc(Br)c1[O-] ZINC000764934880 723460990 /nfs/dbraw/zinc/46/09/90/723460990.db2.gz PZVWEERSKCADEN-UHFFFAOYSA-N -1 1 351.200 3.339 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCOc2ccccc21 ZINC000765746078 723537420 /nfs/dbraw/zinc/53/74/20/723537420.db2.gz CXVSZPVRLZKRQP-ZDUSSCGKSA-N -1 1 362.223 3.337 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000765755143 723538549 /nfs/dbraw/zinc/53/85/49/723538549.db2.gz GSUPOVOUURUWMI-QYJAPNMZSA-N -1 1 366.255 3.166 20 10 FGCDMM Cc1ccc(C)c(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765766047 723539496 /nfs/dbraw/zinc/53/94/96/723539496.db2.gz VDBXPKCDJPAOLQ-UHFFFAOYSA-N -1 1 364.239 3.467 20 10 FGCDMM CCn1ncnc1CN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000794842124 723548706 /nfs/dbraw/zinc/54/87/06/723548706.db2.gz PTVOSLDGXLHXGU-MRVPVSSYSA-N -1 1 359.655 3.270 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000796606038 723646239 /nfs/dbraw/zinc/64/62/39/723646239.db2.gz ATONETWDKREANJ-SGTLLEGYSA-N -1 1 353.846 3.018 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(Cl)s3)no2)c1 ZINC000771323913 723732563 /nfs/dbraw/zinc/73/25/63/723732563.db2.gz IWPYLKFXPWIAEN-UHFFFAOYSA-N -1 1 371.827 3.196 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)ccc1O ZINC000797820134 723866728 /nfs/dbraw/zinc/86/67/28/723866728.db2.gz HVQJGALHVKZWMB-UHFFFAOYSA-N -1 1 361.423 3.132 20 10 FGCDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775287677 723976223 /nfs/dbraw/zinc/97/62/23/723976223.db2.gz IWEHFDHNHADMDO-UHFFFAOYSA-N -1 1 363.435 3.295 20 10 FGCDMM CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000789597365 725137976 /nfs/dbraw/zinc/13/79/76/725137976.db2.gz RPUKUUWXQCYWTR-QGZVFWFLSA-N -1 1 362.832 3.418 20 10 FGCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000807841131 725172238 /nfs/dbraw/zinc/17/22/38/725172238.db2.gz SPJMEEYVDMSNFT-UHFFFAOYSA-N -1 1 357.149 3.243 20 10 FGCDMM COCCNC(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000809693935 725259245 /nfs/dbraw/zinc/25/92/45/725259245.db2.gz DIZILAHHUQDZOE-UHFFFAOYSA-N -1 1 352.793 3.173 20 10 FGCDMM O=C(NC1CC1)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000811510983 725371220 /nfs/dbraw/zinc/37/12/20/725371220.db2.gz BHZFFRIMOHYZOM-AWEZNQCLSA-N -1 1 356.825 3.428 20 10 FGCDMM O=C([N-]C[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1)C(F)(F)F ZINC000811515148 725372042 /nfs/dbraw/zinc/37/20/42/725372042.db2.gz NNAODNOLZSXGLH-SECBINFHSA-N -1 1 368.758 3.075 20 10 FGCDMM O=C(Cc1csc(C2CC2)n1)NCc1cccc(Br)c1[O-] ZINC000822457804 729177322 /nfs/dbraw/zinc/17/73/22/729177322.db2.gz CWFBKKBVBBYYBO-UHFFFAOYSA-N -1 1 367.268 3.348 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000857225222 732113818 /nfs/dbraw/zinc/11/38/18/732113818.db2.gz IPUMMEIZJJOCCB-UHFFFAOYSA-N -1 1 350.396 3.280 20 10 FGCDMM CC(C)(C)n1ccnc1SCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890758300 739827718 /nfs/dbraw/zinc/82/77/18/739827718.db2.gz VAQPGXCLXLNXJL-UHFFFAOYSA-N -1 1 353.875 3.406 20 10 FGCDMM CC(C)(C)OC(=O)NC1(CC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890761110 739828659 /nfs/dbraw/zinc/82/86/59/739828659.db2.gz KZUDIKYODJUEAE-UHFFFAOYSA-N -1 1 354.834 3.109 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000890763428 739828952 /nfs/dbraw/zinc/82/89/52/739828952.db2.gz WIZNVSHYZLOQNX-SNVBAGLBSA-N -1 1 373.762 3.455 20 10 FGCDMM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591632 758102329 /nfs/dbraw/zinc/10/23/29/758102329.db2.gz YLSAVEUUMJWXPG-NSHDSACASA-N -1 1 364.781 3.253 20 10 FGCDMM C[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000185490872 495596209 /nfs/dbraw/zinc/59/62/09/495596209.db2.gz OQDQKDVEFBZRIN-ZDUSSCGKSA-N -1 1 374.462 3.308 20 10 FGCDMM Cc1nn(C(C)(C)C)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000277506177 496795859 /nfs/dbraw/zinc/79/58/59/496795859.db2.gz KNHYYCBRWXFGAL-UHFFFAOYSA-N -1 1 366.259 3.345 20 10 FGCDMM CC[C@@H]1C[C@@H](CC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277658223 496844335 /nfs/dbraw/zinc/84/43/35/496844335.db2.gz ZQFLRYCSUNDYIJ-WCQYABFASA-N -1 1 356.260 3.366 20 10 FGCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278205135 497036873 /nfs/dbraw/zinc/03/68/73/497036873.db2.gz JOYBKRIUXDPPOA-MRXNPFEDSA-N -1 1 362.357 3.022 20 10 FGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccnc1N1CCC(O)CC1 ZINC000293596788 498424390 /nfs/dbraw/zinc/42/43/90/498424390.db2.gz KSRFXYYTYHDMAI-UHFFFAOYSA-N -1 1 351.809 3.153 20 10 FGCDMM CCn1cnnc1[C@@H]1CN([C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC000365525718 498512638 /nfs/dbraw/zinc/51/26/38/498512638.db2.gz DHTKULJIYSMUKM-BONVTDFDSA-N -1 1 371.268 3.445 20 10 FGCDMM C[N@@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccccc1O ZINC000362774926 498550850 /nfs/dbraw/zinc/55/08/50/498550850.db2.gz NFILFPOZMYJYRW-UHFFFAOYSA-N -1 1 368.477 3.032 20 10 FGCDMM COc1c([O-])c(CN2CCCC[C@H]2c2noc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000365810667 498649763 /nfs/dbraw/zinc/64/97/63/498649763.db2.gz CDMUPCJTYCZLDG-AWEZNQCLSA-N -1 1 374.397 3.297 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCSC1 ZINC000287952705 498910740 /nfs/dbraw/zinc/91/07/40/498910740.db2.gz LLKOIVCGOMUVAA-SNVBAGLBSA-N -1 1 359.289 3.097 20 10 FGCDMM CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007545 499754784 /nfs/dbraw/zinc/75/47/84/499754784.db2.gz QEGPYYQBTJFSGE-ROUUACIJSA-N -1 1 362.445 3.099 20 10 FGCDMM O=C([O-])C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000739794101 600143567 /nfs/dbraw/zinc/14/35/67/600143567.db2.gz QZNCRYWELHLXMD-UHFFFAOYSA-N -1 1 364.785 3.083 20 10 FGCDMM O=C([O-])C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000739794101 600143569 /nfs/dbraw/zinc/14/35/69/600143569.db2.gz QZNCRYWELHLXMD-UHFFFAOYSA-N -1 1 364.785 3.083 20 10 FGCDMM COc1ccc(N(Cc2ccnc(-c3nnn[n-]3)c2)[C@@H](C)C2CC2)cc1 ZINC000826209340 607519839 /nfs/dbraw/zinc/51/98/39/607519839.db2.gz XSUGAGLADVTRLE-ZDUSSCGKSA-N -1 1 350.426 3.075 20 10 FGCDMM COc1ccc(N(Cc2ccnc(-c3nn[n-]n3)c2)[C@@H](C)C2CC2)cc1 ZINC000826209340 607519840 /nfs/dbraw/zinc/51/98/40/607519840.db2.gz XSUGAGLADVTRLE-ZDUSSCGKSA-N -1 1 350.426 3.075 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccccc32)c1 ZINC000093907891 700456393 /nfs/dbraw/zinc/45/63/93/700456393.db2.gz CBUBCCXNOGCBDO-UHFFFAOYSA-N -1 1 356.403 3.169 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1[O-] ZINC000177018064 705600930 /nfs/dbraw/zinc/60/09/30/705600930.db2.gz XPGVQQLDVJDOGT-HOTGVXAUSA-N -1 1 373.902 3.036 20 10 FGCDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c1 ZINC000780418565 724464662 /nfs/dbraw/zinc/46/46/62/724464662.db2.gz RFJMNUWTLMWQNJ-UHFFFAOYSA-N -1 1 367.814 3.464 20 10 FGCDMM CCOc1ccc(SCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782508034 724676475 /nfs/dbraw/zinc/67/64/75/724676475.db2.gz AGOSZTVEMTVAGS-UHFFFAOYSA-N -1 1 362.403 3.015 20 10 FGCDMM O=C(COC(=O)c1ccc(Cl)c(Cl)c1[O-])c1ccc(O)c(O)c1 ZINC000783533915 724762256 /nfs/dbraw/zinc/76/22/56/724762256.db2.gz RLFQSBVGRIGGRN-UHFFFAOYSA-N -1 1 357.145 3.150 20 10 FGCDMM O=C(COC(=O)c1ccc(F)c(Br)c1)c1ccc([O-])c(O)c1 ZINC000783912735 724803132 /nfs/dbraw/zinc/80/31/32/724803132.db2.gz ZLFSHHHZFYHAMD-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1F ZINC000784338330 724844546 /nfs/dbraw/zinc/84/45/46/724844546.db2.gz LWSXAZHBCZSYFF-SNVBAGLBSA-N -1 1 350.317 3.296 20 10 FGCDMM CCN(CC)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1F ZINC000789975667 723090015 /nfs/dbraw/zinc/09/00/15/723090015.db2.gz BIZFGKXABVJLBX-UHFFFAOYSA-N -1 1 350.365 3.152 20 10 FGCDMM O=C(Cn1cc(NCc2c([O-])ccc(Cl)c2F)cn1)NC1CCCC1 ZINC000790955778 723199216 /nfs/dbraw/zinc/19/92/16/723199216.db2.gz YTXPVRHVSRDNCQ-UHFFFAOYSA-N -1 1 366.824 3.052 20 10 FGCDMM Cc1csc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764780875 723444939 /nfs/dbraw/zinc/44/49/39/723444939.db2.gz TUJXDKHNWDTIAT-VIFPVBQESA-N -1 1 370.272 3.480 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ncc(Br)cn1 ZINC000764935601 723461315 /nfs/dbraw/zinc/46/13/15/723461315.db2.gz ZKRYPDYXGVZXST-UHFFFAOYSA-N -1 1 359.021 3.319 20 10 FGCDMM COc1ccc(F)cc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765733282 723536397 /nfs/dbraw/zinc/53/63/97/723536397.db2.gz WUQCXGDNAZGLJU-UHFFFAOYSA-N -1 1 368.202 3.161 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(C2CC2)s1 ZINC000765747440 723537710 /nfs/dbraw/zinc/53/77/10/723537710.db2.gz NCXAIMFARCVLMC-UHFFFAOYSA-N -1 1 353.241 3.419 20 10 FGCDMM C[C@H](OCc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765750754 723537951 /nfs/dbraw/zinc/53/79/51/723537951.db2.gz LEXWMDJYJPGVSS-LBPRGKRZSA-N -1 1 364.239 3.376 20 10 FGCDMM COc1ccc(NC(=S)NCc2cccc(Br)c2[O-])cn1 ZINC000765993741 723550531 /nfs/dbraw/zinc/55/05/31/723550531.db2.gz ZZJHADDVQUTBLA-UHFFFAOYSA-N -1 1 368.256 3.045 20 10 FGCDMM CC(C)(C)CCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200797 723560939 /nfs/dbraw/zinc/56/09/39/723560939.db2.gz OFOHYKILKNELSN-UHFFFAOYSA-N -1 1 350.278 3.010 20 10 FGCDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000769683220 723692101 /nfs/dbraw/zinc/69/21/01/723692101.db2.gz BSBJJYVSHCDLFM-UHFFFAOYSA-N -1 1 368.842 3.084 20 10 FGCDMM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1F)c1cccc2nonc21 ZINC000799126725 723989589 /nfs/dbraw/zinc/98/95/89/723989589.db2.gz JBJCFQGIWYJYIM-UHFFFAOYSA-N -1 1 362.169 3.470 20 10 FGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCCN(Cc2cscn2)CC1 ZINC000775678602 724022610 /nfs/dbraw/zinc/02/26/10/724022610.db2.gz FXTOTHWGYHYHKG-UHFFFAOYSA-N -1 1 355.866 3.349 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c2cccnc12 ZINC000776748643 724179230 /nfs/dbraw/zinc/17/92/30/724179230.db2.gz AFNJUEOXYXHWFS-UHFFFAOYSA-N -1 1 364.810 3.403 20 10 FGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cccnc1C(F)(F)F ZINC000808113938 725184377 /nfs/dbraw/zinc/18/43/77/725184377.db2.gz NHVNRYIXXZSYRT-UHFFFAOYSA-N -1 1 370.711 3.399 20 10 FGCDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808114120 725184473 /nfs/dbraw/zinc/18/44/73/725184473.db2.gz QRKGHAIZODRWGA-UHFFFAOYSA-N -1 1 361.826 3.380 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]c(C(F)(F)F)c1 ZINC000816496676 727168161 /nfs/dbraw/zinc/16/81/61/727168161.db2.gz RQPFCUDADKWWEG-UHFFFAOYSA-N -1 1 363.133 3.432 20 10 FGCDMM CCn1nc(C)c(CN[C@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000818347256 727308744 /nfs/dbraw/zinc/30/87/44/727308744.db2.gz YSWZJAMEWWNNKX-MRVPVSSYSA-N -1 1 357.227 3.064 20 10 FGCDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cccc(Cl)c3[O-])[C@@H]2C1 ZINC000822507836 729183690 /nfs/dbraw/zinc/18/36/90/729183690.db2.gz IUJNXSFKNPIYLQ-IUODEOHRSA-N -1 1 352.862 3.487 20 10 FGCDMM CC(C)(C)O[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000827523582 729431274 /nfs/dbraw/zinc/43/12/74/729431274.db2.gz JLCJUPFBOAASMI-TXEJJXNPSA-N -1 1 371.275 3.300 20 10 FGCDMM C[C@@H]1C[C@H]1c1nnc2ccc(NCc3cccc(Br)c3[O-])nn21 ZINC000828032466 729438822 /nfs/dbraw/zinc/43/88/22/729438822.db2.gz WGNNTBXNCPRUJD-MWLCHTKSSA-N -1 1 374.242 3.328 20 10 FGCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000840915557 730190850 /nfs/dbraw/zinc/19/08/50/730190850.db2.gz QYNAMYOVIHJQGK-UHFFFAOYSA-N -1 1 363.435 3.178 20 10 FGCDMM CC(C)COC(=O)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890758285 739827996 /nfs/dbraw/zinc/82/79/96/739827996.db2.gz UWJUXHTZSMNBCP-UHFFFAOYSA-N -1 1 368.861 3.166 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN1CCS[C@H]2COCC[C@@H]21 ZINC000894083491 742236498 /nfs/dbraw/zinc/23/64/98/742236498.db2.gz DZDDWDCQGAJJCW-STQMWFEESA-N -1 1 362.264 3.000 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@]12CCO[C@H]1CCCC2 ZINC000935663517 761917574 /nfs/dbraw/zinc/91/75/74/761917574.db2.gz UZJJBHPJZVHBMX-XJKSGUPXSA-N -1 1 354.244 3.120 20 10 FGCDMM O=C(CSc1ccccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916603405 758105596 /nfs/dbraw/zinc/10/55/96/758105596.db2.gz YFKLJXJGQRLVEO-UHFFFAOYSA-N -1 1 352.795 3.269 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2cc(Cl)cc(Cl)c2)C(=O)[N-]C1=S ZINC000920974394 758627104 /nfs/dbraw/zinc/62/71/04/758627104.db2.gz KDQOISGZZPCQPF-WUXMJOGZSA-N -1 1 372.277 3.189 20 10 FGCDMM O=C(c1ccsc1)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000179796313 495735832 /nfs/dbraw/zinc/73/58/32/495735832.db2.gz VVBBATLLLBJBCB-UHFFFAOYSA-N -1 1 350.871 3.455 20 10 FGCDMM Cc1nc(C)c(CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277312073 496732936 /nfs/dbraw/zinc/73/29/36/496732936.db2.gz CVHIGXBPVVPQJJ-UHFFFAOYSA-N -1 1 370.272 3.227 20 10 FGCDMM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277389690 496756690 /nfs/dbraw/zinc/75/66/90/496756690.db2.gz AKPXXOIEHPSFFM-VIFPVBQESA-N -1 1 366.259 3.305 20 10 FGCDMM CS(=O)(=O)N1CCc2c1cccc2NCc1c([O-])ccc(Cl)c1F ZINC000191593145 496824849 /nfs/dbraw/zinc/82/48/49/496824849.db2.gz OSQWTUFZQDQZCE-UHFFFAOYSA-N -1 1 370.833 3.119 20 10 FGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280394699 497741257 /nfs/dbraw/zinc/74/12/57/497741257.db2.gz XFKKVVVDYUCRHQ-ZDUSSCGKSA-N -1 1 372.299 3.022 20 10 FGCDMM COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OCc3c(C)noc3C)C2)c1O ZINC000377680323 499719198 /nfs/dbraw/zinc/71/91/98/499719198.db2.gz UWPULVGATVUKMV-OAHLLOKOSA-N -1 1 366.845 3.450 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1O ZINC000528639975 504305779 /nfs/dbraw/zinc/30/57/79/504305779.db2.gz MSQJXULLECJLKM-MRXNPFEDSA-N -1 1 367.873 3.002 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccccc1F ZINC000823503787 599310221 /nfs/dbraw/zinc/31/02/21/599310221.db2.gz IVCSKBFMVYWLTR-KPKJPENVSA-N -1 1 373.394 3.005 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccccc1F ZINC000823503787 599310224 /nfs/dbraw/zinc/31/02/24/599310224.db2.gz IVCSKBFMVYWLTR-KPKJPENVSA-N -1 1 373.394 3.005 20 10 FGCDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646863 700452963 /nfs/dbraw/zinc/45/29/63/700452963.db2.gz IUTKWTIIHKYXSV-KBPBESRZSA-N -1 1 366.310 3.487 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)ccc1O ZINC000156359031 705112570 /nfs/dbraw/zinc/11/25/70/705112570.db2.gz STARYLYRBIJZBQ-UHFFFAOYSA-N -1 1 356.787 3.371 20 10 FGCDMM CC(C)c1ccccc1N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000752915576 722877821 /nfs/dbraw/zinc/87/78/21/722877821.db2.gz VRVHVYLUXNERCW-UHFFFAOYSA-N -1 1 362.451 3.164 20 10 FGCDMM CCO[C@H](C)c1noc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])n1 ZINC000750053675 722753089 /nfs/dbraw/zinc/75/30/89/722753089.db2.gz JENRIXURPPECLF-LLVKDONJSA-N -1 1 367.833 3.361 20 10 FGCDMM O=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1cc(F)cc(F)c1[O-] ZINC000753016792 722881749 /nfs/dbraw/zinc/88/17/49/722881749.db2.gz QYYNCUQVLUJLEJ-UHFFFAOYSA-N -1 1 369.267 3.196 20 10 FGCDMM CN1CCc2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc21 ZINC000753154594 722887621 /nfs/dbraw/zinc/88/76/21/722887621.db2.gz HRYYTJRFDAZXSK-UHFFFAOYSA-N -1 1 357.479 3.080 20 10 FGCDMM C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756382061 722963684 /nfs/dbraw/zinc/96/36/84/722963684.db2.gz QPMNGMATSQIPRN-RFAUZJTJSA-N -1 1 367.218 3.171 20 10 FGCDMM C[C@@H](NCc1nnc2n1CCCC2)c1cc(Br)c(F)cc1[O-] ZINC000760866970 723099831 /nfs/dbraw/zinc/09/98/31/723099831.db2.gz BKNNCMYILHPTKL-SECBINFHSA-N -1 1 369.238 3.072 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 ZINC000790416101 723137783 /nfs/dbraw/zinc/13/77/83/723137783.db2.gz PVRFCTMRZRXYEJ-UHFFFAOYSA-N -1 1 369.826 3.195 20 10 FGCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)cc1 ZINC000761995901 723204849 /nfs/dbraw/zinc/20/48/49/723204849.db2.gz OYEPYXKVBFDUME-UHFFFAOYSA-N -1 1 351.424 3.379 20 10 FGCDMM C[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCCS1 ZINC000764796432 723447421 /nfs/dbraw/zinc/44/74/21/723447421.db2.gz DJRTVBUHVYGSQW-CQSZACIVSA-N -1 1 359.289 3.240 20 10 FGCDMM CCOc1cc(C(=O)NCc2ccc(OC)cc2O)cc(Cl)c1[O-] ZINC000794373902 723515979 /nfs/dbraw/zinc/51/59/79/723515979.db2.gz OKRIXFICMOTAIO-UHFFFAOYSA-N -1 1 351.786 3.089 20 10 FGCDMM O=C(CCc1nc2ccccc2[nH]1)NCc1cccc(Br)c1[O-] ZINC000765752028 723538073 /nfs/dbraw/zinc/53/80/73/723538073.db2.gz DOAMSDRTBHDURM-UHFFFAOYSA-N -1 1 374.238 3.280 20 10 FGCDMM Cc1cc2c[nH]nc2c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765763613 723539076 /nfs/dbraw/zinc/53/90/76/723539076.db2.gz FLDFBUVVGBBGFV-UHFFFAOYSA-N -1 1 360.211 3.269 20 10 FGCDMM O=C(Cn1ccc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765764447 723539267 /nfs/dbraw/zinc/53/92/67/723539267.db2.gz KEONIBKWKJLOPA-UHFFFAOYSA-N -1 1 359.223 3.426 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2nsnc2c1 ZINC000765769184 723539623 /nfs/dbraw/zinc/53/96/23/723539623.db2.gz JOQDEURVRPKIMJ-UHFFFAOYSA-N -1 1 364.224 3.089 20 10 FGCDMM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@]2(CCOC2)O1 ZINC000796550010 723643113 /nfs/dbraw/zinc/64/31/13/723643113.db2.gz ALWJLMSPSUUCNZ-YJBOKZPZSA-N -1 1 353.846 3.018 20 10 FGCDMM COC(=O)C1([N@H+](C)Cc2cccc(Br)c2O)CCCCC1 ZINC000769401525 723684489 /nfs/dbraw/zinc/68/44/89/723684489.db2.gz LQTDDUVUCZVRSE-UHFFFAOYSA-N -1 1 356.260 3.462 20 10 FGCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000775286510 723975780 /nfs/dbraw/zinc/97/57/80/723975780.db2.gz KLDKJGRHRMGTPH-HJWRWDBZSA-N -1 1 367.810 3.245 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1[N+](=O)[O-] ZINC000775294997 723978311 /nfs/dbraw/zinc/97/83/11/723978311.db2.gz YGPAUBACPMPJIL-UHFFFAOYSA-N -1 1 366.395 3.035 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cnccc3C)CC2)c1[O-] ZINC000799188788 723997123 /nfs/dbraw/zinc/99/71/23/723997123.db2.gz SGGMOXYSNYFWRK-UHFFFAOYSA-N -1 1 359.857 3.274 20 10 FGCDMM COc1cc(CCO)ccc1NCc1cccc(Br)c1[O-] ZINC000787770212 725038019 /nfs/dbraw/zinc/03/80/19/725038019.db2.gz OQIZMTLYHBPFMN-UHFFFAOYSA-N -1 1 352.228 3.310 20 10 FGCDMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1nnc2ccccc2c1O ZINC000807835882 725171356 /nfs/dbraw/zinc/17/13/56/725171356.db2.gz BLJMHMJQGMIRTH-UHFFFAOYSA-N -1 1 364.188 3.278 20 10 FGCDMM CCOCC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000808361303 725196611 /nfs/dbraw/zinc/19/66/11/725196611.db2.gz NUBRTFIUHRMEEZ-UHFFFAOYSA-N -1 1 359.264 3.017 20 10 FGCDMM O=C([N-]C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1)C(F)(F)F ZINC000811515149 725371957 /nfs/dbraw/zinc/37/19/57/725371957.db2.gz NNAODNOLZSXGLH-VIFPVBQESA-N -1 1 368.758 3.075 20 10 FGCDMM Cc1nc(CNCc2cc([N+](=O)[O-])ccc2[O-])sc1Br ZINC000824592230 729349355 /nfs/dbraw/zinc/34/93/55/729349355.db2.gz ZTQQSPQODIQYQJ-UHFFFAOYSA-N -1 1 358.217 3.118 20 10 FGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC2(CC1)OCCc1ccsc12 ZINC000828012479 729438457 /nfs/dbraw/zinc/43/84/57/729438457.db2.gz REUJNSGVKPJMLP-UHFFFAOYSA-N -1 1 363.410 3.003 20 10 FGCDMM Cn1ncc(C2CCC2)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000834476247 729806748 /nfs/dbraw/zinc/80/67/48/729806748.db2.gz SJHKKWDLACSPFA-UHFFFAOYSA-N -1 1 364.243 3.086 20 10 FGCDMM O=C(NCCCC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000836502572 729957975 /nfs/dbraw/zinc/95/79/75/729957975.db2.gz IYSOPNMHFIGIDI-UHFFFAOYSA-N -1 1 371.275 3.161 20 10 FGCDMM COCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000836661287 729964130 /nfs/dbraw/zinc/96/41/30/729964130.db2.gz FXOLTSGDEWCNMR-UHFFFAOYSA-N -1 1 371.275 3.161 20 10 FGCDMM COCC1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000840443334 730146242 /nfs/dbraw/zinc/14/62/42/730146242.db2.gz XBIRBTHBZVMKOB-UHFFFAOYSA-N -1 1 371.275 3.159 20 10 FGCDMM C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cc(Br)cc(F)c1[O-] ZINC000850498928 731364821 /nfs/dbraw/zinc/36/48/21/731364821.db2.gz GCCBIILYOLAPFD-UBJUHAIHSA-N -1 1 355.211 3.242 20 10 FGCDMM CC[C@@H](NCc1nc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850540221 731371317 /nfs/dbraw/zinc/37/13/17/731371317.db2.gz JWGYMWIXOLNWKW-SECBINFHSA-N -1 1 360.266 3.495 20 10 FGCDMM O=C(NCCCc1ccco1)NCc1cccc(Br)c1[O-] ZINC000852680810 731619197 /nfs/dbraw/zinc/61/91/97/731619197.db2.gz AHAOLQHXEHECTD-UHFFFAOYSA-N -1 1 353.216 3.180 20 10 FGCDMM CC(=O)N[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])c1ccc(C)cc1 ZINC000890757523 739827439 /nfs/dbraw/zinc/82/74/39/739827439.db2.gz GWIGZYUVFDRZRI-KRWDZBQOSA-N -1 1 360.841 3.238 20 10 FGCDMM [O-]c1c(Br)cc(Cl)cc1CN(CCO)Cc1cccnc1 ZINC000894002533 742225493 /nfs/dbraw/zinc/22/54/93/742225493.db2.gz RFPKBEZGYMLTDF-UHFFFAOYSA-N -1 1 371.662 3.198 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])C1C[C@H]2CC[C@@H](C1)S2 ZINC000897577701 742691566 /nfs/dbraw/zinc/69/15/66/742691566.db2.gz ZVAHUHXUUUHRJO-YOGCLGLASA-N -1 1 356.285 3.445 20 10 FGCDMM C[C@@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(F)c(O)cc3Cl)cn21 ZINC000901963033 743687392 /nfs/dbraw/zinc/68/73/92/743687392.db2.gz OIKWTBKNKSUTGE-MRVPVSSYSA-N -1 1 359.810 3.079 20 10 FGCDMM O=C(Cc1cccc(C(F)(F)F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916589927 758102730 /nfs/dbraw/zinc/10/27/30/758102730.db2.gz JHVZIZVWTANDTQ-UHFFFAOYSA-N -1 1 354.280 3.085 20 10 FGCDMM COc1cc(OC)c(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000273446083 496808085 /nfs/dbraw/zinc/80/80/85/496808085.db2.gz ZXTHJJRNQIUILN-NSHDSACASA-N -1 1 362.382 3.177 20 10 FGCDMM COCCc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000264752113 496978134 /nfs/dbraw/zinc/97/81/34/496978134.db2.gz ATCILPUNDSNDEJ-UHFFFAOYSA-N -1 1 360.479 3.277 20 10 FGCDMM CC(C)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000278454110 497119629 /nfs/dbraw/zinc/11/96/29/497119629.db2.gz XWZDINNCTQEGEJ-MRXNPFEDSA-N -1 1 374.462 3.164 20 10 FGCDMM O=C(CCCC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000282461216 498521885 /nfs/dbraw/zinc/52/18/85/498521885.db2.gz UCHPNRFMMSKSAL-UHFFFAOYSA-N -1 1 356.260 3.368 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCSC1 ZINC000287952702 498910871 /nfs/dbraw/zinc/91/08/71/498910871.db2.gz LLKOIVCGOMUVAA-JTQLQIEISA-N -1 1 359.289 3.097 20 10 FGCDMM Cc1ccc(C(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c(O)c1O ZINC000371586888 499344572 /nfs/dbraw/zinc/34/45/72/499344572.db2.gz YJYPVOQOEXGDFD-UHFFFAOYSA-N -1 1 369.343 3.168 20 10 FGCDMM CCN(CC)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736531836 598959952 /nfs/dbraw/zinc/95/99/52/598959952.db2.gz MCLJXCAIZXDRBN-UHFFFAOYSA-N -1 1 374.452 3.268 20 10 FGCDMM CCN(CC)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736531836 598959953 /nfs/dbraw/zinc/95/99/53/598959953.db2.gz MCLJXCAIZXDRBN-UHFFFAOYSA-N -1 1 374.452 3.268 20 10 FGCDMM Cc1cc(C(=O)CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC000738321322 600289874 /nfs/dbraw/zinc/28/98/74/600289874.db2.gz YJIXIIPOMCMPIJ-LJQANCHMSA-N -1 1 366.461 3.464 20 10 FGCDMM C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739030917 602002068 /nfs/dbraw/zinc/00/20/68/602002068.db2.gz HGQNUNBYCNSILE-GHMZBOCLSA-N -1 1 357.248 3.023 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1c1ccccc1 ZINC000823504198 606390061 /nfs/dbraw/zinc/39/00/61/606390061.db2.gz NCSPWGUKNJAEHV-WQLSENKSSA-N -1 1 371.472 3.334 20 10 FGCDMM CCOc1ccc(-c2nn[nH]n2)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000825632255 609477181 /nfs/dbraw/zinc/47/71/81/609477181.db2.gz NAODKONILNMZNZ-UHFFFAOYSA-N -1 1 363.780 3.376 20 10 FGCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000013463989 695610809 /nfs/dbraw/zinc/61/08/09/695610809.db2.gz WMKFMYBFUJHNFG-UHFFFAOYSA-N -1 1 362.190 3.198 20 10 FGCDMM CS(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048794836 695889530 /nfs/dbraw/zinc/88/95/30/695889530.db2.gz ABSIEDDRKGSBAD-UHFFFAOYSA-N -1 1 356.241 3.170 20 10 FGCDMM CN(C)C(=O)Cc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000098039202 700464611 /nfs/dbraw/zinc/46/46/11/700464611.db2.gz WFSAXHMOVIFLMJ-UHFFFAOYSA-N -1 1 363.255 3.398 20 10 FGCDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000193827633 713501130 /nfs/dbraw/zinc/50/11/30/713501130.db2.gz FVTSUQWFEZMUPW-UHFFFAOYSA-N -1 1 370.799 3.054 20 10 FGCDMM CCCNC(=O)[C@H]1CN(Cc2cccc(Cl)c2[O-])c2ccccc2O1 ZINC000194730066 713532253 /nfs/dbraw/zinc/53/22/53/713532253.db2.gz KVUBFDAGJCHHDW-QGZVFWFLSA-N -1 1 360.841 3.339 20 10 FGCDMM O=C(COc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782704300 724695263 /nfs/dbraw/zinc/69/52/63/724695263.db2.gz JOCMLONVMPUJPM-UHFFFAOYSA-N -1 1 371.172 3.210 20 10 FGCDMM CC(C)(C)c1ncc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000783943751 724805703 /nfs/dbraw/zinc/80/57/03/724805703.db2.gz KSGFGXKORKQJPF-ALCCZGGFSA-N -1 1 361.419 3.291 20 10 FGCDMM Cc1cc(C)cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000762060918 723211703 /nfs/dbraw/zinc/21/17/03/723211703.db2.gz WCIHATTYKMGJIX-UHFFFAOYSA-N -1 1 359.407 3.098 20 10 FGCDMM CCSCC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764790929 723446245 /nfs/dbraw/zinc/44/62/45/723446245.db2.gz KSHLEUOOICGVNQ-SNVBAGLBSA-N -1 1 361.305 3.486 20 10 FGCDMM COc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765212147 723494374 /nfs/dbraw/zinc/49/43/74/723494374.db2.gz SHEJPYXQEUHFDH-UHFFFAOYSA-N -1 1 351.200 3.485 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccnn1CC1CC1 ZINC000765346273 723507174 /nfs/dbraw/zinc/50/71/74/723507174.db2.gz HBAZOJKPHMDRIQ-UHFFFAOYSA-N -1 1 365.231 3.083 20 10 FGCDMM CC(=O)[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000765732004 723535812 /nfs/dbraw/zinc/53/58/12/723535812.db2.gz OLCNPNMIPJXSNK-NWDGAFQWSA-N -1 1 354.244 3.022 20 10 FGCDMM CCCc1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765737182 723536562 /nfs/dbraw/zinc/53/65/62/723536562.db2.gz RUKMVNJLOHYQQZ-UHFFFAOYSA-N -1 1 355.257 3.494 20 10 FGCDMM COc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765736561 723536697 /nfs/dbraw/zinc/53/66/97/723536697.db2.gz OMOZBNLGWZBELN-UHFFFAOYSA-N -1 1 368.202 3.161 20 10 FGCDMM Cc1ncsc1/C=C/C(=O)NCc1cccc(Br)c1[O-] ZINC000765747703 723537530 /nfs/dbraw/zinc/53/75/30/723537530.db2.gz QRFINECZAKXWPN-AATRIKPKSA-N -1 1 353.241 3.249 20 10 FGCDMM C[C@@H](OCc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765750753 723537930 /nfs/dbraw/zinc/53/79/30/723537930.db2.gz LEXWMDJYJPGVSS-GFCCVEGCSA-N -1 1 364.239 3.376 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(NC2CC2)nc1 ZINC000765754272 723538551 /nfs/dbraw/zinc/53/85/51/723538551.db2.gz UKBFSLHMCCLMDC-UHFFFAOYSA-N -1 1 362.227 3.054 20 10 FGCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cccc1[N+](=O)[O-] ZINC000765763610 723539125 /nfs/dbraw/zinc/53/91/25/723539125.db2.gz FHSQYECQFAFMKO-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM COCCNC(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000796466398 723638979 /nfs/dbraw/zinc/63/89/79/723638979.db2.gz PQLJUMPHUKTLRL-UHFFFAOYSA-N -1 1 352.793 3.173 20 10 FGCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1F ZINC000773251434 723780160 /nfs/dbraw/zinc/78/01/60/723780160.db2.gz KGKWNTIONRONEN-UHFFFAOYSA-N -1 1 367.398 3.044 20 10 FGCDMM CO[C@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775701011 724027085 /nfs/dbraw/zinc/02/70/85/724027085.db2.gz AKIDCPJAXQGFCU-JTQLQIEISA-N -1 1 365.065 3.138 20 10 FGCDMM O=C(COC(=O)c1cnc(Cl)c2ccccc12)c1ccc([O-])c(O)c1 ZINC000785004069 724890186 /nfs/dbraw/zinc/89/01/86/724890186.db2.gz HLBUGSLGPVREHT-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000807834945 725171474 /nfs/dbraw/zinc/17/14/74/725171474.db2.gz SQGPRORAYJJXBI-UHFFFAOYSA-N -1 1 357.149 3.243 20 10 FGCDMM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@H](C)[S@]1=O ZINC000809700468 725260186 /nfs/dbraw/zinc/26/01/86/725260186.db2.gz HDVLFAUQPCEDRB-SZZPBAKOSA-N -1 1 360.317 3.195 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCN(c2ccccc2Cl)CC1 ZINC000820608909 729009408 /nfs/dbraw/zinc/00/94/08/729009408.db2.gz COSKSEKAFTXRJN-UHFFFAOYSA-N -1 1 364.804 3.243 20 10 FGCDMM COc1c([O-])c(CNCC(F)(F)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000826915681 729419009 /nfs/dbraw/zinc/41/90/09/729419009.db2.gz SRRASQAAKBXRSJ-UHFFFAOYSA-N -1 1 356.300 3.330 20 10 FGCDMM COc1c([O-])c(CNCC(F)(F)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000827613696 729432353 /nfs/dbraw/zinc/43/23/53/729432353.db2.gz NEYJQKOPCDWLQS-UHFFFAOYSA-N -1 1 352.337 3.499 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCc3cc(Cl)nnc3C2)c1[O-] ZINC000829148687 729461743 /nfs/dbraw/zinc/46/17/43/729461743.db2.gz QPFUISPRCBMPLS-UHFFFAOYSA-N -1 1 352.221 3.250 20 10 FGCDMM COCc1nc(CNCc2cc(Br)cc(F)c2[O-])cs1 ZINC000883122768 737526627 /nfs/dbraw/zinc/52/66/27/737526627.db2.gz ZEHFCMKCWDNNQI-UHFFFAOYSA-N -1 1 361.236 3.187 20 10 FGCDMM CC(C)(C)c1noc(CCCC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890757979 739827434 /nfs/dbraw/zinc/82/74/34/739827434.db2.gz PFZGCXAOMGNHOE-UHFFFAOYSA-N -1 1 351.834 3.365 20 10 FGCDMM CCN(CC)C(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760745 739828243 /nfs/dbraw/zinc/82/82/43/739828243.db2.gz YKKYCKSGHKCOEX-UHFFFAOYSA-N -1 1 360.841 3.458 20 10 FGCDMM CC(C)[C@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000935662129 761916497 /nfs/dbraw/zinc/91/64/97/761916497.db2.gz BVHIHYWMRWCPJD-BXUZGUMPSA-N -1 1 356.260 3.222 20 10 FGCDMM O=C(CCSc1ccc(F)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916615627 758107858 /nfs/dbraw/zinc/10/78/58/758107858.db2.gz DBBXVNVCHWQJJI-UHFFFAOYSA-N -1 1 350.367 3.145 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccnn1C1CCC1 ZINC000934715528 761696714 /nfs/dbraw/zinc/69/67/14/761696714.db2.gz DEAZDWNYYVYXNH-UHFFFAOYSA-N -1 1 365.231 3.398 20 10 FGCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1Cl ZINC000041374311 136120951 /nfs/dbraw/zinc/12/09/51/136120951.db2.gz XHBHQNQUJYCUEF-UHFFFAOYSA-N -1 1 366.870 3.286 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000248534195 497031783 /nfs/dbraw/zinc/03/17/83/497031783.db2.gz JCBRTZUTCDDTBK-RLCCDNCMSA-N -1 1 351.830 3.466 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000248534195 497031788 /nfs/dbraw/zinc/03/17/88/497031788.db2.gz JCBRTZUTCDDTBK-RLCCDNCMSA-N -1 1 351.830 3.466 20 10 FGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000276599322 497608559 /nfs/dbraw/zinc/60/85/59/497608559.db2.gz QWBYIEDIFDBENS-UHFFFAOYSA-N -1 1 355.369 3.133 20 10 FGCDMM Cc1nc([C@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)no1 ZINC000362385732 498507420 /nfs/dbraw/zinc/50/74/20/498507420.db2.gz GFUIJURFXXTAAX-JTQLQIEISA-N -1 1 352.778 3.025 20 10 FGCDMM CCCc1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000295376692 498997412 /nfs/dbraw/zinc/99/74/12/498997412.db2.gz OSPNNMNKWYWUEX-UHFFFAOYSA-N -1 1 353.216 3.334 20 10 FGCDMM Oc1ccc2c(c1CNc1c3ccccc3nnc1-c1nnn[n-]1)CCCC2 ZINC000823733044 599063809 /nfs/dbraw/zinc/06/38/09/599063809.db2.gz SJBUKVNSPKLRJV-UHFFFAOYSA-N -1 1 373.420 3.006 20 10 FGCDMM Oc1ccc2c(c1CNc1c3ccccc3nnc1-c1nn[n-]n1)CCCC2 ZINC000823733044 599063812 /nfs/dbraw/zinc/06/38/12/599063812.db2.gz SJBUKVNSPKLRJV-UHFFFAOYSA-N -1 1 373.420 3.006 20 10 FGCDMM O=C([O-])CC[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CCOCC1 ZINC000833233371 600720076 /nfs/dbraw/zinc/72/00/76/600720076.db2.gz UVAZTHKFFPCVHK-UHFFFAOYSA-N -1 1 373.449 3.473 20 10 FGCDMM O=C([O-])CC[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CCOCC1 ZINC000833233371 600720079 /nfs/dbraw/zinc/72/00/79/600720079.db2.gz UVAZTHKFFPCVHK-UHFFFAOYSA-N -1 1 373.449 3.473 20 10 FGCDMM Oc1ccc2c(c1CNc1ccc(Cl)c(-c3nnn[n-]3)n1)CCCC2 ZINC000823733555 606470061 /nfs/dbraw/zinc/47/00/61/606470061.db2.gz YVJIPRKTASVVOO-UHFFFAOYSA-N -1 1 356.817 3.112 20 10 FGCDMM Oc1ccc2c(c1CNc1ccc(Cl)c(-c3nn[n-]n3)n1)CCCC2 ZINC000823733555 606470063 /nfs/dbraw/zinc/47/00/63/606470063.db2.gz YVJIPRKTASVVOO-UHFFFAOYSA-N -1 1 356.817 3.112 20 10 FGCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1CC ZINC000189435429 712794073 /nfs/dbraw/zinc/79/40/73/712794073.db2.gz FIFANPUOJJQJFJ-UHFFFAOYSA-N -1 1 350.396 3.226 20 10 FGCDMM CN(CC(=O)NCc1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769467343 723686514 /nfs/dbraw/zinc/68/65/14/723686514.db2.gz UWJCGMWNLABCGT-UHFFFAOYSA-N -1 1 353.249 3.447 20 10 FGCDMM O=C(CCOc1ccc(F)c(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782917166 724708828 /nfs/dbraw/zinc/70/88/28/724708828.db2.gz BQBCJTFKEJMGNW-UHFFFAOYSA-N -1 1 368.744 3.085 20 10 FGCDMM Cc1cc(OC(F)F)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000783674505 724777604 /nfs/dbraw/zinc/77/76/04/724777604.db2.gz ROJKXBIBVXOGFW-UHFFFAOYSA-N -1 1 358.318 3.109 20 10 FGCDMM COC(=O)COc1ccc(N(C)Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000792174271 723318005 /nfs/dbraw/zinc/31/80/05/723318005.db2.gz PRZUFXACWGJMHD-UHFFFAOYSA-N -1 1 353.777 3.373 20 10 FGCDMM O=[N+]([O-])c1c(NCc2cccc(Br)c2[O-])nc2ccccn21 ZINC000764933017 723460926 /nfs/dbraw/zinc/46/09/26/723460926.db2.gz BDVXPOQEOLVXCU-UHFFFAOYSA-N -1 1 363.171 3.323 20 10 FGCDMM CC(C)n1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765299041 723503911 /nfs/dbraw/zinc/50/39/11/723503911.db2.gz SLWDFMMLWAFKPK-UHFFFAOYSA-N -1 1 353.220 3.254 20 10 FGCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1cccc(O)c1 ZINC000765496868 723517731 /nfs/dbraw/zinc/51/77/31/723517731.db2.gz FXCZFSZSSRKIHL-SNVBAGLBSA-N -1 1 365.227 3.421 20 10 FGCDMM C[C@@H]1C(=O)CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000765750408 723537995 /nfs/dbraw/zinc/53/79/95/723537995.db2.gz FZPWUVKDROFUJX-ZYHUDNBSSA-N -1 1 368.271 3.412 20 10 FGCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1Cl ZINC000765751210 723538115 /nfs/dbraw/zinc/53/81/15/723538115.db2.gz AJSGGVRXEJCVGD-UHFFFAOYSA-N -1 1 371.618 3.142 20 10 FGCDMM Cc1ccc(F)cc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200732 723560950 /nfs/dbraw/zinc/56/09/50/723560950.db2.gz NFIHPSMLFZQHEO-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)OC[C@@H]2C)c1[O-] ZINC000796307484 723632089 /nfs/dbraw/zinc/63/20/89/723632089.db2.gz LSNPBUCFOOIULT-SDBXPKJASA-N -1 1 351.752 3.400 20 10 FGCDMM Cc1csc(CCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000768300871 723653244 /nfs/dbraw/zinc/65/32/44/723653244.db2.gz DDZJJDSMMWSIEN-UHFFFAOYSA-N -1 1 355.257 3.169 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(Br)c(C)c2)ccc1O ZINC000797819546 723866289 /nfs/dbraw/zinc/86/62/89/723866289.db2.gz LXNIVIQXVRVUNT-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c(C)c1 ZINC000775289276 723976549 /nfs/dbraw/zinc/97/65/49/723976549.db2.gz UXKQBYIJNHQCFM-UHFFFAOYSA-N -1 1 363.435 3.213 20 10 FGCDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784711391 724873998 /nfs/dbraw/zinc/87/39/98/724873998.db2.gz IQGQLDSOYFZUPZ-UHFFFAOYSA-N -1 1 365.725 3.008 20 10 FGCDMM CCn1c(C)nc([N+](=O)[O-])c1NCc1cccc(Br)c1[O-] ZINC000808049811 725180857 /nfs/dbraw/zinc/18/08/57/725180857.db2.gz FKDNTSBTORYCKU-UHFFFAOYSA-N -1 1 355.192 3.200 20 10 FGCDMM Cc1ccc(NCc2cccc(Cl)c2[O-])cc1S(=O)(=O)N(C)C ZINC000809681671 725258304 /nfs/dbraw/zinc/25/83/04/725258304.db2.gz YIZZPMBHUGOJEE-UHFFFAOYSA-N -1 1 354.859 3.216 20 10 FGCDMM O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1)C(F)(F)F ZINC000816614658 727180547 /nfs/dbraw/zinc/18/05/47/727180547.db2.gz BTXVETRTDZLPCC-SECBINFHSA-N -1 1 368.758 3.075 20 10 FGCDMM CCC(CC)(CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000818626847 727317854 /nfs/dbraw/zinc/31/78/54/727317854.db2.gz AWCQGQRXWOGCHX-UHFFFAOYSA-N -1 1 363.241 3.389 20 10 FGCDMM CC(C)C[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000818628381 727317983 /nfs/dbraw/zinc/31/79/83/727317983.db2.gz UUFVMGFXXYFDCB-JTQLQIEISA-N -1 1 363.241 3.245 20 10 FGCDMM CC(C)C[C@@H](C(=O)NCc1cccc(Br)c1[O-])n1ccnc1 ZINC000822459030 729177374 /nfs/dbraw/zinc/17/73/74/729177374.db2.gz NPEBITDLQFPMJD-AWEZNQCLSA-N -1 1 366.259 3.255 20 10 FGCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1S(=O)(=O)N(C)C ZINC000825290106 729377284 /nfs/dbraw/zinc/37/72/84/729377284.db2.gz OZTTUWJFUCPVBA-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM CC1(C)[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])C1(F)F ZINC000852627140 731610623 /nfs/dbraw/zinc/61/06/23/731610623.db2.gz DTCUVJBTTBRZRP-SNVBAGLBSA-N -1 1 363.202 3.245 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1nccnc1OC1CCC1 ZINC000853537700 731719937 /nfs/dbraw/zinc/71/99/37/731719937.db2.gz FOOMZZAELLPQBN-UHFFFAOYSA-N -1 1 350.216 3.488 20 10 FGCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1nnc(C2CCOCC2)[nH]1 ZINC000865687008 733252667 /nfs/dbraw/zinc/25/26/67/733252667.db2.gz LMPOAIRMOZCJQU-UHFFFAOYSA-N -1 1 357.241 3.001 20 10 FGCDMM COC(=O)c1cnc(C2CCN(Cc3ccc(F)c(F)c3[O-])CC2)s1 ZINC000877652737 736699893 /nfs/dbraw/zinc/69/98/93/736699893.db2.gz NEGXKYVGIAUGDQ-UHFFFAOYSA-N -1 1 368.405 3.293 20 10 FGCDMM COC[C@H](C)n1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000883094013 737522600 /nfs/dbraw/zinc/52/26/00/737522600.db2.gz MSCSGVOTZBPESD-VIFPVBQESA-N -1 1 358.211 3.310 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])C1([C@H]2CCCCO2)CCOCC1 ZINC000890762504 739828301 /nfs/dbraw/zinc/82/83/01/739828301.db2.gz FLILXRXBEQUOKJ-OAHLLOKOSA-N -1 1 353.846 3.028 20 10 FGCDMM O=C(NCc1ccc(N2CCCC2)nc1)NCc1cccc(Cl)c1[O-] ZINC000891824366 739941002 /nfs/dbraw/zinc/94/10/02/739941002.db2.gz APFNHAOFCHTMEC-UHFFFAOYSA-N -1 1 360.845 3.040 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000893908303 742212506 /nfs/dbraw/zinc/21/25/06/742212506.db2.gz VTBZSBSRJTYHOH-DYEKYZERSA-N -1 1 358.916 3.224 20 10 FGCDMM CC(C)(C)OCc1cc(CNC(=O)NCc2cccc(Cl)c2[O-])no1 ZINC000894300594 742265035 /nfs/dbraw/zinc/26/50/35/742265035.db2.gz JRQMYAQOHHJSFY-UHFFFAOYSA-N -1 1 367.833 3.348 20 10 FGCDMM O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)NCc1cccc(Cl)c1[O-] ZINC000896649491 742576788 /nfs/dbraw/zinc/57/67/88/742576788.db2.gz JGUZQURMRSQGNB-ZYHUDNBSSA-N -1 1 366.767 3.345 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896659844 742578830 /nfs/dbraw/zinc/57/88/30/742578830.db2.gz HRLVMDLADBLEAY-PWSUYJOCSA-N -1 1 366.767 3.345 20 10 FGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000900653806 743143601 /nfs/dbraw/zinc/14/36/01/743143601.db2.gz ONJPSZONQHUIEN-JTQLQIEISA-N -1 1 362.426 3.202 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1ncn(CC(F)(F)F)n1 ZINC000905412332 744020366 /nfs/dbraw/zinc/02/03/66/744020366.db2.gz FKTJABUKNLTYBT-UHFFFAOYSA-N -1 1 369.116 3.060 20 10 FGCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])c1nccs1 ZINC000907759018 744235155 /nfs/dbraw/zinc/23/51/55/744235155.db2.gz XOLSJKNMQHUWCA-UHFFFAOYSA-N -1 1 355.257 3.205 20 10 FGCDMM CC(C)[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000935662130 761916447 /nfs/dbraw/zinc/91/64/47/761916447.db2.gz BVHIHYWMRWCPJD-FZMZJTMJSA-N -1 1 356.260 3.222 20 10 FGCDMM C[C@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000920881003 758614865 /nfs/dbraw/zinc/61/48/65/758614865.db2.gz KUXQLQOBCSMCIC-ZDUSSCGKSA-N -1 1 360.841 3.373 20 10 FGCDMM C[C@@H](NCc1nnc2n1CCCC2)c1cc(Br)cc(F)c1[O-] ZINC000183846210 496134856 /nfs/dbraw/zinc/13/48/56/496134856.db2.gz XPOYWRPJGLGERN-SECBINFHSA-N -1 1 369.238 3.072 20 10 FGCDMM CCCc1cc(NC(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000277942411 496944738 /nfs/dbraw/zinc/94/47/38/496944738.db2.gz GCLXTQIPZGFULO-UHFFFAOYSA-N -1 1 367.247 3.162 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000248534192 497031993 /nfs/dbraw/zinc/03/19/93/497031993.db2.gz JCBRTZUTCDDTBK-LYRGGWFBSA-N -1 1 351.830 3.466 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000248534192 497032000 /nfs/dbraw/zinc/03/20/00/497032000.db2.gz JCBRTZUTCDDTBK-LYRGGWFBSA-N -1 1 351.830 3.466 20 10 FGCDMM Cc1nn2c(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)c(C)nc2s1 ZINC000270997670 497242418 /nfs/dbraw/zinc/24/24/18/497242418.db2.gz JZYUMKSHDDPZEQ-MRXNPFEDSA-N -1 1 372.494 3.294 20 10 FGCDMM CC[C@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287565264 498798886 /nfs/dbraw/zinc/79/88/86/498798886.db2.gz GKHTXANMUOKMPV-SFHVURJKSA-N -1 1 374.916 3.433 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H](C1CC1)C(F)(F)F ZINC000288290039 498985713 /nfs/dbraw/zinc/98/57/13/498985713.db2.gz CMUMJOQHWIXMOP-LLVKDONJSA-N -1 1 367.165 3.295 20 10 FGCDMM O=C([O-])C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739793740 600144633 /nfs/dbraw/zinc/14/46/33/600144633.db2.gz OMSDQHIMXLMJNZ-UHFFFAOYSA-N -1 1 371.824 3.318 20 10 FGCDMM O=C([O-])C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739793740 600144635 /nfs/dbraw/zinc/14/46/35/600144635.db2.gz OMSDQHIMXLMJNZ-UHFFFAOYSA-N -1 1 371.824 3.318 20 10 FGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833420296 605549179 /nfs/dbraw/zinc/54/91/79/605549179.db2.gz QCWJIUCCGBWDTI-LLVKDONJSA-N -1 1 356.806 3.277 20 10 FGCDMM Cc1nn(-c2ccc(F)cc2)c(Cl)c1C=C1SC(=S)[N-]C1=O ZINC000006339238 695556274 /nfs/dbraw/zinc/55/62/74/695556274.db2.gz FKDJSJBRFZVSNZ-WDZFZDKYSA-N -1 1 353.831 3.462 20 10 FGCDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000093646862 700452777 /nfs/dbraw/zinc/45/27/77/700452777.db2.gz IUTKWTIIHKYXSV-KGLIPLIRSA-N -1 1 366.310 3.487 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCc3ncc([N+](=O)[O-])cc3C2)c1[O-] ZINC000754212659 722931490 /nfs/dbraw/zinc/93/14/90/722931490.db2.gz AEYQUDZMCOMDSX-UHFFFAOYSA-N -1 1 361.785 3.110 20 10 FGCDMM O=C([O-])[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1Br ZINC000756347903 722963231 /nfs/dbraw/zinc/96/32/31/722963231.db2.gz IRSQENKVJHQYKA-INIZCTEOSA-N -1 1 362.223 3.300 20 10 FGCDMM COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1NS(C)(=O)=O ZINC000756869073 722970992 /nfs/dbraw/zinc/97/09/92/722970992.db2.gz OGTVRYXAYUNSRR-VIFPVBQESA-N -1 1 372.393 3.224 20 10 FGCDMM O=C1OCc2ccc(S(=O)(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cc21 ZINC000758161990 722985298 /nfs/dbraw/zinc/98/52/98/722985298.db2.gz CQNLXWFWXDGDAN-UHFFFAOYSA-N -1 1 374.201 3.170 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N1CCc2ccccc2C1 ZINC000790464028 723142814 /nfs/dbraw/zinc/14/28/14/723142814.db2.gz SRUGBENZRQUYPZ-UHFFFAOYSA-N -1 1 361.239 3.423 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000792703543 723358675 /nfs/dbraw/zinc/35/86/75/723358675.db2.gz YXGHIWQEYZFQKY-JTQLQIEISA-N -1 1 351.449 3.238 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000792703286 723358854 /nfs/dbraw/zinc/35/88/54/723358854.db2.gz SRFIDGNCKFLDHA-UHFFFAOYSA-N -1 1 366.464 3.182 20 10 FGCDMM CO[C@@H]1[C@@H](C)[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764804361 723448270 /nfs/dbraw/zinc/44/82/70/723448270.db2.gz FPZMVBGOXFHEFF-QCZZGDTMSA-N -1 1 371.275 3.013 20 10 FGCDMM CC[C@H](C)CC[C@@H](O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000793967922 723479454 /nfs/dbraw/zinc/47/94/54/723479454.db2.gz GVXUWOYPXFJAEI-WCQYABFASA-N -1 1 358.276 3.348 20 10 FGCDMM COc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765210474 723493878 /nfs/dbraw/zinc/49/38/78/723493878.db2.gz JJBGVMFYDREDCE-UHFFFAOYSA-N -1 1 351.200 3.485 20 10 FGCDMM O=C(CCCOc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000765728354 723535618 /nfs/dbraw/zinc/53/56/18/723535618.db2.gz ILHALBSXWQWJEK-UHFFFAOYSA-N -1 1 365.227 3.025 20 10 FGCDMM Cc1noc(C)c1[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765731468 723535854 /nfs/dbraw/zinc/53/58/54/723535854.db2.gz JHHPELKDRKMFJK-MRVPVSSYSA-N -1 1 353.216 3.179 20 10 FGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])nn1C(C)(C)C ZINC000765753738 723538463 /nfs/dbraw/zinc/53/84/63/723538463.db2.gz PPYVDWGIRHMIPQ-UHFFFAOYSA-N -1 1 366.259 3.345 20 10 FGCDMM O=C(/C=C\c1cncc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765764108 723539082 /nfs/dbraw/zinc/53/90/82/723539082.db2.gz JFICUNQCFMQTNP-PLNGDYQASA-N -1 1 351.175 3.018 20 10 FGCDMM COc1c([O-])c(CN2CCc3ccc(F)c(F)c3C2)ccc1[N+](=O)[O-] ZINC000774913221 723941943 /nfs/dbraw/zinc/94/19/43/723941943.db2.gz RHLJCOSLWOYKMC-UHFFFAOYSA-N -1 1 350.321 3.146 20 10 FGCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000785617178 724926037 /nfs/dbraw/zinc/92/60/37/724926037.db2.gz SBKNMAPZGVTJDQ-SECBINFHSA-N -1 1 351.786 3.259 20 10 FGCDMM CCOC(=O)[C@@H](C)N(Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000787442137 725028563 /nfs/dbraw/zinc/02/85/63/725028563.db2.gz TYKMILGHSHNLJD-LLVKDONJSA-N -1 1 356.260 3.379 20 10 FGCDMM C[C@@H](N[C@@H](C)c1ncnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000788980883 725100631 /nfs/dbraw/zinc/10/06/31/725100631.db2.gz AQLSPKPIUXSHFK-SFYZADRCSA-N -1 1 359.655 3.348 20 10 FGCDMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1n[nH]nc1-c1ccccc1 ZINC000807835552 725171312 /nfs/dbraw/zinc/17/13/12/725171312.db2.gz HBRPUZGJBGLTEV-UHFFFAOYSA-N -1 1 363.204 3.414 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](O)c1ccc(Cl)cc1 ZINC000813539055 726891925 /nfs/dbraw/zinc/89/19/25/726891925.db2.gz DVWMKNMZVBGVIQ-CQSZACIVSA-N -1 1 370.630 3.158 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CO)[C@H]2C(F)(F)F)c1[O-] ZINC000828745066 729447423 /nfs/dbraw/zinc/44/74/23/729447423.db2.gz SPHTVGOYXXIPFV-BONVTDFDSA-N -1 1 365.779 3.383 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC12CCSCC2 ZINC000830530200 729569258 /nfs/dbraw/zinc/56/92/58/729569258.db2.gz WKMOKGJCHAZGIN-LLVKDONJSA-N -1 1 356.285 3.304 20 10 FGCDMM COC1(C(F)(F)F)CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000841888603 730282710 /nfs/dbraw/zinc/28/27/10/730282710.db2.gz MUZPFWAXSAFHAG-UHFFFAOYSA-N -1 1 368.739 3.497 20 10 FGCDMM O=C1CCc2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc21 ZINC000848692579 731198185 /nfs/dbraw/zinc/19/81/85/731198185.db2.gz CZHZQHPOHDKFQM-UHFFFAOYSA-N -1 1 356.447 3.217 20 10 FGCDMM O=C(NC[C@@H]1CCN(c2ccccc2Cl)C1)c1c(F)ccc(O)c1[O-] ZINC000857301318 732118907 /nfs/dbraw/zinc/11/89/07/732118907.db2.gz QMHCRLWZJSKBFH-NSHDSACASA-N -1 1 364.804 3.147 20 10 FGCDMM Cc1ncc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000868935164 733665125 /nfs/dbraw/zinc/66/51/25/733665125.db2.gz RDQRWTKZYTVWKN-QMMMGPOBSA-N -1 1 370.272 3.480 20 10 FGCDMM O=C(Cc1csc(C2CCCC2)n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000873461172 735765161 /nfs/dbraw/zinc/76/51/61/735765161.db2.gz VTLLSPATQDXVCE-UHFFFAOYSA-N -1 1 361.419 3.181 20 10 FGCDMM CC(C)Cn1ccnc1CNCc1cc(Br)cc(F)c1[O-] ZINC000883017552 737512121 /nfs/dbraw/zinc/51/21/21/737512121.db2.gz QHXMKYIUMCAELO-UHFFFAOYSA-N -1 1 356.239 3.436 20 10 FGCDMM COCCCn1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000883042749 737515266 /nfs/dbraw/zinc/51/52/66/737515266.db2.gz IWEILCVBPHJBPI-UHFFFAOYSA-N -1 1 358.211 3.139 20 10 FGCDMM C[C@@H]1C[C@H](NCc2cc(Cl)cc(Br)c2[O-])c2ncnn21 ZINC000883165907 737531567 /nfs/dbraw/zinc/53/15/67/737531567.db2.gz OJIQJBHVUWKRMI-HQJQHLMTSA-N -1 1 357.639 3.195 20 10 FGCDMM CCn1c(-c2ccc(Br)cc2)cnc1SCc1nn[n-]n1 ZINC000913398987 757511498 /nfs/dbraw/zinc/51/14/98/757511498.db2.gz ZJRNSISQJOLCCE-UHFFFAOYSA-N -1 1 365.260 3.138 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc(N2CCOCC2)c1 ZINC000929879454 760479112 /nfs/dbraw/zinc/47/91/12/760479112.db2.gz YGAJHASGSKDYGC-UHFFFAOYSA-N -1 1 361.829 3.204 20 10 FGCDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C(C)C)c(C)n1-c1ccccn1 ZINC000066639977 494373442 /nfs/dbraw/zinc/37/34/42/494373442.db2.gz CFBMSIGDWLVSLB-UHFFFAOYSA-N -1 1 370.482 3.254 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000189434895 497117138 /nfs/dbraw/zinc/11/71/38/497117138.db2.gz DFLDJTJWADQJMA-UHFFFAOYSA-N -1 1 374.462 3.055 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000279642248 497495548 /nfs/dbraw/zinc/49/55/48/497495548.db2.gz AXIAXVIQZZZXFN-GFCCVEGCSA-N -1 1 353.846 3.018 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000296810218 498206009 /nfs/dbraw/zinc/20/60/09/498206009.db2.gz RHWJIQDONGSDHG-UHFFFAOYSA-N -1 1 365.788 3.014 20 10 FGCDMM CCc1csc(CC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000283409163 498876844 /nfs/dbraw/zinc/87/68/44/498876844.db2.gz BWLHODSAXYZWJC-UHFFFAOYSA-N -1 1 355.257 3.033 20 10 FGCDMM CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007541 499754735 /nfs/dbraw/zinc/75/47/35/499754735.db2.gz QEGPYYQBTJFSGE-QZTJIDSGSA-N -1 1 362.445 3.099 20 10 FGCDMM C[C@H]1CN(c2ccc(CNCc3ccoc3C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000833633999 605080280 /nfs/dbraw/zinc/08/02/80/605080280.db2.gz DLJDIWBDCBMGSQ-STQMWFEESA-N -1 1 362.401 3.020 20 10 FGCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2cccc(-c3nnn[n-]3)n2)CC1 ZINC000826233323 607903370 /nfs/dbraw/zinc/90/33/70/607903370.db2.gz CHSJBTKVPZCNTC-UHFFFAOYSA-N -1 1 357.421 3.345 20 10 FGCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2cccc(-c3nn[n-]n3)n2)CC1 ZINC000826233323 607903371 /nfs/dbraw/zinc/90/33/71/607903371.db2.gz CHSJBTKVPZCNTC-UHFFFAOYSA-N -1 1 357.421 3.345 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000189430442 712794266 /nfs/dbraw/zinc/79/42/66/712794266.db2.gz VNWIUYJCOJRTRH-UHFFFAOYSA-N -1 1 350.396 3.280 20 10 FGCDMM CC(C)(Oc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783642230 724774274 /nfs/dbraw/zinc/77/42/74/724774274.db2.gz CFNKTJUWJVMTRE-UHFFFAOYSA-N -1 1 364.781 3.335 20 10 FGCDMM O=C(COC(=O)c1cc(Cl)ccc1OC(F)F)c1ccc([O-])c(O)c1 ZINC000783987846 724810700 /nfs/dbraw/zinc/81/07/00/724810700.db2.gz JEUIELKFEHWMOF-UHFFFAOYSA-N -1 1 372.707 3.392 20 10 FGCDMM COc1cc(Cl)c(Cl)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784012859 724812426 /nfs/dbraw/zinc/81/24/26/724812426.db2.gz HAJYSUOXLOSGJB-UHFFFAOYSA-N -1 1 371.172 3.453 20 10 FGCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000729278008 722458598 /nfs/dbraw/zinc/45/85/98/722458598.db2.gz MIWNXKKGXUNVOR-SECBINFHSA-N -1 1 366.211 3.360 20 10 FGCDMM COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)ccc2[O-])c1 ZINC000729278009 722458632 /nfs/dbraw/zinc/45/86/32/722458632.db2.gz MIWNXKKGXUNVOR-VIFPVBQESA-N -1 1 366.211 3.360 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)O[C@@H](C)C2)c1[O-] ZINC000750056425 722753369 /nfs/dbraw/zinc/75/33/69/722753369.db2.gz HSCLXYNXHVFHMH-ISVAXAHUSA-N -1 1 351.752 3.400 20 10 FGCDMM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000752090603 722845029 /nfs/dbraw/zinc/84/50/29/722845029.db2.gz BCKCMJVVYWQNFI-IAGOWNOFSA-N -1 1 366.889 3.470 20 10 FGCDMM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000752090604 722845061 /nfs/dbraw/zinc/84/50/61/722845061.db2.gz BCKCMJVVYWQNFI-IRXDYDNUSA-N -1 1 366.889 3.470 20 10 FGCDMM O=C(NCCOc1ccc(C(F)(F)F)cc1)c1c(F)ccc(O)c1[O-] ZINC000789960867 723088703 /nfs/dbraw/zinc/08/87/03/723088703.db2.gz WGLXETVXEXJUDU-UHFFFAOYSA-N -1 1 359.275 3.065 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000789975119 723090228 /nfs/dbraw/zinc/09/02/28/723090228.db2.gz RCFNSQWRIPWGGA-CQSZACIVSA-N -1 1 351.761 3.104 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000790409021 723136687 /nfs/dbraw/zinc/13/66/87/723136687.db2.gz KQIRZROELYOKLV-UHFFFAOYSA-N -1 1 351.424 3.379 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000792703260 723358620 /nfs/dbraw/zinc/35/86/20/723358620.db2.gz RROSRSBMYHIOPY-UHFFFAOYSA-N -1 1 367.448 3.076 20 10 FGCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC000764763412 723443450 /nfs/dbraw/zinc/44/34/50/723443450.db2.gz VKJCBCXNQPCEAE-JTQLQIEISA-N -1 1 350.216 3.110 20 10 FGCDMM CCOC(=O)c1cnc(NCc2cccc(Br)c2[O-])nc1C ZINC000764935347 723460788 /nfs/dbraw/zinc/46/07/88/723460788.db2.gz RTHRQWBCLFYTSR-UHFFFAOYSA-N -1 1 366.215 3.042 20 10 FGCDMM CC(C)c1cc(NCc2cccc(Br)c2[O-])n2ncnc2n1 ZINC000764935483 723460814 /nfs/dbraw/zinc/46/08/14/723460814.db2.gz VBIDKUUFWCAJAA-UHFFFAOYSA-N -1 1 362.231 3.328 20 10 FGCDMM Cc1cc(C)n(-c2ccc(NCc3cccc(Br)c3[O-])nn2)n1 ZINC000764934055 723460948 /nfs/dbraw/zinc/46/09/48/723460948.db2.gz IOLSBWDHVDIFKM-UHFFFAOYSA-N -1 1 374.242 3.359 20 10 FGCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1cccnc1 ZINC000765452465 723514323 /nfs/dbraw/zinc/51/43/23/723514323.db2.gz FJKVUOJNPGZCSM-SNVBAGLBSA-N -1 1 350.216 3.110 20 10 FGCDMM CN1CCc2cc(C(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000765747549 723537666 /nfs/dbraw/zinc/53/76/66/723537666.db2.gz PJIMPQLDEQMSDK-UHFFFAOYSA-N -1 1 361.239 3.077 20 10 FGCDMM Cc1ccccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765750882 723537902 /nfs/dbraw/zinc/53/79/02/723537902.db2.gz NFCRQAFNIXDUAY-UHFFFAOYSA-N -1 1 350.212 3.158 20 10 FGCDMM CCSCc1cc(C(=O)NCc2cccc(Br)c2[O-])no1 ZINC000765770423 723539769 /nfs/dbraw/zinc/53/97/69/723539769.db2.gz QTXBBMMPIGTJCK-UHFFFAOYSA-N -1 1 371.256 3.326 20 10 FGCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000766200579 723560943 /nfs/dbraw/zinc/56/09/43/723560943.db2.gz MLGCMPYKTQAGOG-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1O ZINC000797428008 723816077 /nfs/dbraw/zinc/81/60/77/723816077.db2.gz DQRLFKAGEQHZOA-UHFFFAOYSA-N -1 1 362.190 3.198 20 10 FGCDMM C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000800499932 724203529 /nfs/dbraw/zinc/20/35/29/724203529.db2.gz LBZXTBZSQJDDJM-SECBINFHSA-N -1 1 371.254 3.491 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000777464009 724228679 /nfs/dbraw/zinc/22/86/79/724228679.db2.gz LAHNGYYDOGREHI-LFYBBSHMSA-N -1 1 369.393 3.439 20 10 FGCDMM COc1ccc(NCc2cccc(Br)c2[O-])cc1NC(N)=O ZINC000785564131 724921946 /nfs/dbraw/zinc/92/19/46/724921946.db2.gz VYTCLJAHZURQEA-UHFFFAOYSA-N -1 1 366.215 3.266 20 10 FGCDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc(C(=O)[O-])c1C ZINC000808113534 725184173 /nfs/dbraw/zinc/18/41/73/725184173.db2.gz CHMGJQVIHCMLQA-UHFFFAOYSA-N -1 1 373.789 3.301 20 10 FGCDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000811700395 725377144 /nfs/dbraw/zinc/37/71/44/725377144.db2.gz LYFDMQOOVAUSKA-UHFFFAOYSA-N -1 1 357.815 3.001 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCc2cccc(O)c21 ZINC000816496097 727168067 /nfs/dbraw/zinc/16/80/67/727168067.db2.gz WGJHYAMPIFOPRY-GFCCVEGCSA-N -1 1 362.223 3.207 20 10 FGCDMM COCCSc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825732578 729393546 /nfs/dbraw/zinc/39/35/46/729393546.db2.gz YDHCNQRJLREWRO-LLVKDONJSA-N -1 1 365.426 3.466 20 10 FGCDMM Cc1cnc(CCCC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000830529723 729569149 /nfs/dbraw/zinc/56/91/49/729569149.db2.gz OHPNQAIXUBINMO-UHFFFAOYSA-N -1 1 353.216 3.090 20 10 FGCDMM CC[C@H](NCc1nc(C(N)=O)cs1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850540726 731371221 /nfs/dbraw/zinc/37/12/21/731371221.db2.gz NUPAYLSHEXHGKU-JTQLQIEISA-N -1 1 360.266 3.495 20 10 FGCDMM CC[C@H](NCc1nc(C(N)=O)cs1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850540222 731371397 /nfs/dbraw/zinc/37/13/97/731371397.db2.gz JWGYMWIXOLNWKW-VIFPVBQESA-N -1 1 360.266 3.495 20 10 FGCDMM CCc1nc(CNCc2c(O)cccc2Br)ccc1C(=O)[O-] ZINC000864505505 733068312 /nfs/dbraw/zinc/06/83/12/733068312.db2.gz NKWZPNVNYIJSFA-UHFFFAOYSA-N -1 1 365.227 3.100 20 10 FGCDMM CC(C)(C)OC(=O)NCc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000899341268 742909011 /nfs/dbraw/zinc/90/90/11/742909011.db2.gz YCHYHNDJAQCPOJ-WQLSENKSSA-N -1 1 350.465 3.200 20 10 FGCDMM CC(C)(C)c1cc(CS(=O)(=O)Nc2cc(F)c([O-])cc2Cl)no1 ZINC000901962910 743687260 /nfs/dbraw/zinc/68/72/60/743687260.db2.gz NMGFOCUEFXEYBW-UHFFFAOYSA-N -1 1 362.810 3.412 20 10 FGCDMM O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590255 758102845 /nfs/dbraw/zinc/10/28/45/758102845.db2.gz SPQIXHNPQSAYER-UHFFFAOYSA-N -1 1 355.173 3.373 20 10 FGCDMM COc1c([O-])c(CN2CCSC[C@@H]2c2nccs2)ccc1[N+](=O)[O-] ZINC000278297980 497066186 /nfs/dbraw/zinc/06/61/86/497066186.db2.gz CPWOQBPGCSDOQE-GFCCVEGCSA-N -1 1 367.452 3.056 20 10 FGCDMM Cc1ccnc(-c2n[nH]c([C@H](C)N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000279620736 497489382 /nfs/dbraw/zinc/48/93/82/497489382.db2.gz YGTZTUNBFBLVSM-RYUDHWBXSA-N -1 1 368.397 3.201 20 10 FGCDMM CCCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000285210566 498023037 /nfs/dbraw/zinc/02/30/37/498023037.db2.gz UARDHDVAQQXENL-UHFFFAOYSA-N -1 1 374.509 3.091 20 10 FGCDMM [O-]c1c(Cl)cccc1CNCc1nnc(-c2ccncc2F)s1 ZINC000373470502 499471927 /nfs/dbraw/zinc/47/19/27/499471927.db2.gz SBKRLWVQWSLFBY-UHFFFAOYSA-N -1 1 350.806 3.388 20 10 FGCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000822309177 599310371 /nfs/dbraw/zinc/31/03/71/599310371.db2.gz ONWPVUPNMKZVNZ-JYRVWZFOSA-N -1 1 369.431 3.174 20 10 FGCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000822309177 599310374 /nfs/dbraw/zinc/31/03/74/599310374.db2.gz ONWPVUPNMKZVNZ-JYRVWZFOSA-N -1 1 369.431 3.174 20 10 FGCDMM CC(=O)Nc1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000736167528 600142182 /nfs/dbraw/zinc/14/21/82/600142182.db2.gz JXWRRMHYAPQFTA-UHFFFAOYSA-N -1 1 362.813 3.091 20 10 FGCDMM CC(=O)Nc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000736167528 600142183 /nfs/dbraw/zinc/14/21/83/600142183.db2.gz JXWRRMHYAPQFTA-UHFFFAOYSA-N -1 1 362.813 3.091 20 10 FGCDMM COc1ccc(N2CCN(Cc3cc(C(=O)[O-])sc3C)CC2)cc1F ZINC000832383540 601659508 /nfs/dbraw/zinc/65/95/08/601659508.db2.gz KKLSCEUJYAYQLF-UHFFFAOYSA-N -1 1 364.442 3.225 20 10 FGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Br)c1[O-] ZINC000833181975 604680973 /nfs/dbraw/zinc/68/09/73/604680973.db2.gz OSLOEJMWRQBAEA-GDLCADMTSA-N -1 1 354.244 3.372 20 10 FGCDMM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000833812804 605597149 /nfs/dbraw/zinc/59/71/49/605597149.db2.gz LROOWVJKENNVQW-MNOVXSKESA-N -1 1 357.248 3.023 20 10 FGCDMM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000833812804 605597153 /nfs/dbraw/zinc/59/71/53/605597153.db2.gz LROOWVJKENNVQW-MNOVXSKESA-N -1 1 357.248 3.023 20 10 FGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000080359159 700315764 /nfs/dbraw/zinc/31/57/64/700315764.db2.gz IPDJGUUDFQGPFA-UHFFFAOYSA-N -1 1 360.204 3.403 20 10 FGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000174728794 705516241 /nfs/dbraw/zinc/51/62/41/705516241.db2.gz FCEPCHGILAXTCH-UHFFFAOYSA-N -1 1 360.204 3.403 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccccc3O)CC2)c1[O-] ZINC000177227534 705613944 /nfs/dbraw/zinc/61/39/44/705613944.db2.gz LKSOVISDQLAYET-UHFFFAOYSA-N -1 1 360.841 3.276 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN(CCCO)CC(F)(F)F)c1 ZINC000781908688 724610772 /nfs/dbraw/zinc/61/07/72/724610772.db2.gz LCSZQUKMEDZVPT-UHFFFAOYSA-N -1 1 356.182 3.210 20 10 FGCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Br ZINC000784382930 724848585 /nfs/dbraw/zinc/84/85/85/724848585.db2.gz SVBUKBYDHYSZAR-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000758165933 722985331 /nfs/dbraw/zinc/98/53/31/722985331.db2.gz PEZSSWBWMBIASE-UHFFFAOYSA-N -1 1 356.787 3.371 20 10 FGCDMM CN1CC(=O)N(c2cccc(NCc3c([O-])ccc(Cl)c3F)c2)C1=O ZINC000790976581 723201340 /nfs/dbraw/zinc/20/13/40/723201340.db2.gz SPDVAPZQUPMCSP-UHFFFAOYSA-N -1 1 363.776 3.195 20 10 FGCDMM O=C(CSc1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765750712 723537978 /nfs/dbraw/zinc/53/79/78/723537978.db2.gz KJDPSJHSARGZSU-UHFFFAOYSA-N -1 1 368.252 3.269 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1n[nH]c2c1CCCCC2 ZINC000765750187 723537982 /nfs/dbraw/zinc/53/79/82/723537982.db2.gz AICMBCGFWWYTCA-UHFFFAOYSA-N -1 1 364.243 3.077 20 10 FGCDMM C[C@@H](Oc1ccccc1F)C(=O)NCc1cccc(Br)c1[O-] ZINC000765763536 723539056 /nfs/dbraw/zinc/53/90/56/723539056.db2.gz CVFBWOGTGIQECV-SNVBAGLBSA-N -1 1 368.202 3.378 20 10 FGCDMM CC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765769519 723539754 /nfs/dbraw/zinc/53/97/54/723539754.db2.gz MOJBDFOKIDTYBV-UHFFFAOYSA-N -1 1 354.225 3.349 20 10 FGCDMM C[C@@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000773089724 723776467 /nfs/dbraw/zinc/77/64/67/723776467.db2.gz UTGRDVVPSOROEQ-SNVBAGLBSA-N -1 1 358.385 3.209 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2ccccc2c(=O)o1 ZINC000797759718 723858277 /nfs/dbraw/zinc/85/82/77/723858277.db2.gz KKXDNOMMSYBBBX-UHFFFAOYSA-N -1 1 374.190 3.191 20 10 FGCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1 ZINC000775288114 723976239 /nfs/dbraw/zinc/97/62/39/723976239.db2.gz MYQGZYYRUIHXKL-UHFFFAOYSA-N -1 1 363.435 3.295 20 10 FGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)C1=Cc2ccccc2OC1 ZINC000808114970 725184394 /nfs/dbraw/zinc/18/43/94/725184394.db2.gz JNTHOUPSYGRUMK-UHFFFAOYSA-N -1 1 355.774 3.360 20 10 FGCDMM Cc1cc(C)c(CNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000836657850 729964071 /nfs/dbraw/zinc/96/40/71/729964071.db2.gz LNZNCJGPHXXGRQ-UHFFFAOYSA-N -1 1 364.243 3.166 20 10 FGCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCCO1 ZINC000867830664 733522155 /nfs/dbraw/zinc/52/21/55/733522155.db2.gz FSDJWQJEVHKPHK-ZDUSSCGKSA-N -1 1 356.260 3.366 20 10 FGCDMM O=C(NCC[C@H]1CCSC1)NCc1cccc(Br)c1[O-] ZINC000868826133 733648646 /nfs/dbraw/zinc/64/86/46/733648646.db2.gz AORYJWHSIHYZDY-JTQLQIEISA-N -1 1 359.289 3.097 20 10 FGCDMM Cc1ncc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000868935163 733665154 /nfs/dbraw/zinc/66/51/54/733665154.db2.gz RDQRWTKZYTVWKN-MRVPVSSYSA-N -1 1 370.272 3.480 20 10 FGCDMM COCC(C)(C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000873118728 735721891 /nfs/dbraw/zinc/72/18/91/735721891.db2.gz RSQYHXPRBMNAPL-UHFFFAOYSA-N -1 1 359.264 3.017 20 10 FGCDMM O=C(CC1CCCC1)N1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876569884 736115416 /nfs/dbraw/zinc/11/54/16/736115416.db2.gz YVDRHQKFQSCNIC-UHFFFAOYSA-N -1 1 352.425 3.285 20 10 FGCDMM O=C1N(c2ccccc2)[C@@H](c2c([O-])cccc2Br)NC12CC2 ZINC000877859193 736736539 /nfs/dbraw/zinc/73/65/39/736736539.db2.gz NOHKPFIXMXZUQH-HNNXBMFYSA-N -1 1 359.223 3.322 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1cnn(CC(F)F)c1 ZINC000883051303 737516146 /nfs/dbraw/zinc/51/61/46/737516146.db2.gz WMXVLGBYBCQLRD-UHFFFAOYSA-N -1 1 350.138 3.368 20 10 FGCDMM CCS(=O)(=O)Nc1ccc(NCc2cc(F)cc(F)c2[O-])cc1C ZINC000883056357 737516632 /nfs/dbraw/zinc/51/66/32/737516632.db2.gz JMPSZVODEILRET-UHFFFAOYSA-N -1 1 356.394 3.353 20 10 FGCDMM CCOc1cc(C(=O)N(C)C)ccc1NCc1cc(F)cc(F)c1[O-] ZINC000883142737 737529120 /nfs/dbraw/zinc/52/91/20/737529120.db2.gz SMGPJPKTDYYOOL-UHFFFAOYSA-N -1 1 350.365 3.383 20 10 FGCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1F ZINC000886395674 739253725 /nfs/dbraw/zinc/25/37/25/739253725.db2.gz GSMYMVDFXCUGMW-UHFFFAOYSA-N -1 1 362.426 3.429 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCC2(CCC2)O1 ZINC000890083533 739753748 /nfs/dbraw/zinc/75/37/48/739753748.db2.gz VUTUZIIAASUJMR-GFCCVEGCSA-N -1 1 369.259 3.056 20 10 FGCDMM O=C1CCCN1[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894545521 742297305 /nfs/dbraw/zinc/29/73/05/742297305.db2.gz SKPBLNQOPHXALC-GFCCVEGCSA-N -1 1 373.678 3.005 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccnn1C1CC1 ZINC000934534082 761645797 /nfs/dbraw/zinc/64/57/97/761645797.db2.gz ZAHDSOLZGKLDJE-UHFFFAOYSA-N -1 1 351.204 3.008 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1OC ZINC000041371794 494157787 /nfs/dbraw/zinc/15/77/87/494157787.db2.gz BJBPBSIFZTUTNE-UHFFFAOYSA-N -1 1 362.451 3.105 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1O ZINC000177177646 495961651 /nfs/dbraw/zinc/96/16/51/495961651.db2.gz SKSGHPPHFOXJAP-ZDUSSCGKSA-N -1 1 374.872 3.166 20 10 FGCDMM COc1c([O-])c(CN2CCO[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000278205131 497037247 /nfs/dbraw/zinc/03/72/47/497037247.db2.gz JOYBKRIUXDPPOA-INIZCTEOSA-N -1 1 362.357 3.022 20 10 FGCDMM COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)c(F)c1 ZINC000278502933 497135860 /nfs/dbraw/zinc/13/58/60/497135860.db2.gz OGLXGDPTBXVZRK-CQSZACIVSA-N -1 1 368.336 3.065 20 10 FGCDMM CC(C)n1c(CCNC(=O)c2c(F)ccc(O)c2[O-])nc2ccccc21 ZINC000276624336 497614474 /nfs/dbraw/zinc/61/44/74/497614474.db2.gz RPQXLEQDBPYGBN-UHFFFAOYSA-N -1 1 357.385 3.140 20 10 FGCDMM O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276666212 497624770 /nfs/dbraw/zinc/62/47/70/497624770.db2.gz YPTQYYQKZNEOTK-GFCCVEGCSA-N -1 1 361.344 3.111 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccccc1F ZINC000823503785 599310055 /nfs/dbraw/zinc/31/00/55/599310055.db2.gz IVCSKBFMVYWLTR-GHXNOFRVSA-N -1 1 373.394 3.005 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccccc1F ZINC000823503785 599310058 /nfs/dbraw/zinc/31/00/58/599310058.db2.gz IVCSKBFMVYWLTR-GHXNOFRVSA-N -1 1 373.394 3.005 20 10 FGCDMM CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1[O-] ZINC000825946784 601389556 /nfs/dbraw/zinc/38/95/56/601389556.db2.gz PYBXTRYWDXZKCZ-ZDUSSCGKSA-N -1 1 359.397 3.457 20 10 FGCDMM CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1[O-] ZINC000825946784 601389558 /nfs/dbraw/zinc/38/95/58/601389558.db2.gz PYBXTRYWDXZKCZ-ZDUSSCGKSA-N -1 1 359.397 3.457 20 10 FGCDMM CC(C)(NC(=O)[O-])c1noc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000738754446 602433419 /nfs/dbraw/zinc/43/34/19/602433419.db2.gz ISJOCOJGHKQLBG-UHFFFAOYSA-N -1 1 374.441 3.223 20 10 FGCDMM C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739185184 603392760 /nfs/dbraw/zinc/39/27/60/603392760.db2.gz NYHRZRBPVZKBCQ-IUODEOHRSA-N -1 1 358.438 3.495 20 10 FGCDMM C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739185184 603392763 /nfs/dbraw/zinc/39/27/63/603392763.db2.gz NYHRZRBPVZKBCQ-IUODEOHRSA-N -1 1 358.438 3.495 20 10 FGCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000013464014 695610820 /nfs/dbraw/zinc/61/08/20/695610820.db2.gz XYTVHEHDVDHVKP-UHFFFAOYSA-N -1 1 362.190 3.198 20 10 FGCDMM CCCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000160775377 705261439 /nfs/dbraw/zinc/26/14/39/705261439.db2.gz PAWLZYFRGFDTIV-CYBMUJFWSA-N -1 1 366.310 3.488 20 10 FGCDMM O=C(COC(=O)c1ccc2nc(Cl)ccc2c1)c1ccc([O-])c(O)c1 ZINC000782954252 724712198 /nfs/dbraw/zinc/71/21/98/724712198.db2.gz LWFZBBWHAPWSMH-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM O=C(CCCOc1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783059614 724719480 /nfs/dbraw/zinc/71/94/80/724719480.db2.gz FJSSXJUGGYRJAL-UHFFFAOYSA-N -1 1 364.781 3.336 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000750045704 722752636 /nfs/dbraw/zinc/75/26/36/722752636.db2.gz VMHHUIRRJBGRSN-OCCSQVGLSA-N -1 1 351.752 3.136 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN([C@H](C)C(F)(F)F)CC2)c1[O-] ZINC000750056466 722753456 /nfs/dbraw/zinc/75/34/56/722753456.db2.gz IISGDOIBMPTLJT-LLVKDONJSA-N -1 1 364.795 3.317 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccsc32)c1 ZINC000752658636 722866373 /nfs/dbraw/zinc/86/63/73/722866373.db2.gz ZQUGVJDUNQMYAT-UHFFFAOYSA-N -1 1 362.432 3.231 20 10 FGCDMM O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])ccc1Cl ZINC000753018677 722881964 /nfs/dbraw/zinc/88/19/64/722881964.db2.gz NXVAWANPPIGYLS-UHFFFAOYSA-N -1 1 364.713 3.033 20 10 FGCDMM O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1c([O-])c(O)ccc1F ZINC000790070799 723102461 /nfs/dbraw/zinc/10/24/61/723102461.db2.gz HCQRGULQPOEOQY-GFCCVEGCSA-N -1 1 360.168 3.007 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1Cc2ccc(F)cc21 ZINC000793968327 723479363 /nfs/dbraw/zinc/47/93/63/723479363.db2.gz IOCSBPUEBJKKDD-ZDUSSCGKSA-N -1 1 350.187 3.250 20 10 FGCDMM O=C(NCCOC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765475674 723516059 /nfs/dbraw/zinc/51/60/59/723516059.db2.gz AQOUSDVARVAYNR-UHFFFAOYSA-N -1 1 371.275 3.303 20 10 FGCDMM O=C(CSC[C@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000765731938 723535819 /nfs/dbraw/zinc/53/58/19/723535819.db2.gz NBGJZOUZXHKOEN-GFCCVEGCSA-N -1 1 374.300 3.073 20 10 FGCDMM COc1ccc(CCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765733278 723536389 /nfs/dbraw/zinc/53/63/89/723536389.db2.gz WSVUOGRTWBRYQN-UHFFFAOYSA-N -1 1 364.239 3.412 20 10 FGCDMM CCN(CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765750597 723537852 /nfs/dbraw/zinc/53/78/52/723537852.db2.gz JREBDMBXQLYGHG-UHFFFAOYSA-N -1 1 363.255 3.297 20 10 FGCDMM Cc1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765766459 723539455 /nfs/dbraw/zinc/53/94/55/723539455.db2.gz WKJMJNJIHOBMFE-UHFFFAOYSA-N -1 1 350.212 3.158 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](COC(C)C)C2)c1 ZINC000770689129 723719223 /nfs/dbraw/zinc/71/92/23/723719223.db2.gz NTSGTISVRYNUED-CQSZACIVSA-N -1 1 358.276 3.089 20 10 FGCDMM CNS(=O)(=O)c1ccc(C)c(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000809682292 725258483 /nfs/dbraw/zinc/25/84/83/725258483.db2.gz JZAZRHATVKBSKR-UHFFFAOYSA-N -1 1 358.822 3.013 20 10 FGCDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1 ZINC000811706093 725377267 /nfs/dbraw/zinc/37/72/67/725377267.db2.gz XMHUPVQQQNRBGI-UHFFFAOYSA-N -1 1 363.435 3.321 20 10 FGCDMM CC(C)(O)C1CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000846015512 730918912 /nfs/dbraw/zinc/91/89/12/730918912.db2.gz NBXUTJUZPFCGEZ-UHFFFAOYSA-N -1 1 370.287 3.348 20 10 FGCDMM C[C@@]1(CCNC(=O)NCc2cccc(Br)c2[O-])CC1(F)F ZINC000852585762 731605296 /nfs/dbraw/zinc/60/52/96/731605296.db2.gz LAQSBVYBKPNCLJ-CYBMUJFWSA-N -1 1 363.202 3.389 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](CC(F)(F)F)C2)c1[O-] ZINC000852742951 731628922 /nfs/dbraw/zinc/62/89/22/731628922.db2.gz XLGVWQOAHZJJMA-LBPRGKRZSA-N -1 1 351.752 3.401 20 10 FGCDMM O=C(COC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12)c1ccc([O-])c(O)c1 ZINC000860279030 732487918 /nfs/dbraw/zinc/48/79/18/732487918.db2.gz UIHKXFVHHNWPLL-MORSLUCNSA-N -1 1 358.777 3.063 20 10 FGCDMM CC1(CNC(=O)NCc2cccc(Br)c2[O-])CC(F)(F)C1 ZINC000883808531 737604080 /nfs/dbraw/zinc/60/40/80/737604080.db2.gz HNFZCFPHUAUHLT-UHFFFAOYSA-N -1 1 363.202 3.389 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898097688 742744566 /nfs/dbraw/zinc/74/45/66/742744566.db2.gz UYXFAGFXZFZBMN-GFCCVEGCSA-N -1 1 352.232 3.315 20 10 FGCDMM COc1ccc(N2CCCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1 ZINC000920458409 758556265 /nfs/dbraw/zinc/55/62/65/758556265.db2.gz NLVZEPUQIMDLIE-UHFFFAOYSA-N -1 1 360.841 3.407 20 10 FGCDMM CC[C@H](NCc1nnc2n1CCCC2)c1cc(Br)ccc1O ZINC000158103304 496627803 /nfs/dbraw/zinc/62/78/03/496627803.db2.gz FUYJOKXRRMJHKU-ZDUSSCGKSA-N -1 1 365.275 3.323 20 10 FGCDMM O=C(NCCC[C@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277665229 496846275 /nfs/dbraw/zinc/84/62/75/496846275.db2.gz ZMELAPPWKDSYGR-CYBMUJFWSA-N -1 1 371.275 3.303 20 10 FGCDMM CCOc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(Cl)c1[O-] ZINC000274972012 497209206 /nfs/dbraw/zinc/20/92/06/497209206.db2.gz WBIMMTWHVWQUGL-JTQLQIEISA-N -1 1 365.813 3.217 20 10 FGCDMM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])[C@@H]2C1 ZINC000246894159 497819196 /nfs/dbraw/zinc/81/91/96/497819196.db2.gz RIPLBFQVSLPREV-DJIMGWMZSA-N -1 1 353.846 3.017 20 10 FGCDMM Cn1cc(NC(=O)NCc2cccc(Br)c2[O-])c(C2CC2)n1 ZINC000292152362 497901017 /nfs/dbraw/zinc/90/10/17/497901017.db2.gz XDPAONUNKRHYFU-UHFFFAOYSA-N -1 1 365.231 3.087 20 10 FGCDMM CC1(C)C[C@@H](C(=O)NCc2cccc(Br)c2[O-])C(C)(C)O1 ZINC000529174778 504567203 /nfs/dbraw/zinc/56/72/03/504567203.db2.gz YGAUZFFNNRRERA-NSHDSACASA-N -1 1 356.260 3.365 20 10 FGCDMM O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000739638791 599854102 /nfs/dbraw/zinc/85/41/02/599854102.db2.gz BECKEFPGZCRJJR-OAHLLOKOSA-N -1 1 369.417 3.158 20 10 FGCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@@H](c3nccs3)C2)c1O ZINC000740098598 600426454 /nfs/dbraw/zinc/42/64/54/600426454.db2.gz RCILUPOXWXWDBC-MRXNPFEDSA-N -1 1 370.430 3.274 20 10 FGCDMM O=C([O-])c1cc2ccccc2c(CN2CCO[C@H](c3nccs3)C2)c1O ZINC000740098596 600426632 /nfs/dbraw/zinc/42/66/32/600426632.db2.gz RCILUPOXWXWDBC-INIZCTEOSA-N -1 1 370.430 3.274 20 10 FGCDMM C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739030920 602002153 /nfs/dbraw/zinc/00/21/53/602002153.db2.gz HGQNUNBYCNSILE-QWRGUYRKSA-N -1 1 357.248 3.023 20 10 FGCDMM C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833695001 604645017 /nfs/dbraw/zinc/64/50/17/604645017.db2.gz WLHXFFXHSDHKEL-AWEZNQCLSA-N -1 1 350.758 3.212 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000120118268 700648730 /nfs/dbraw/zinc/64/87/30/700648730.db2.gz YAMUWBIJSRETGN-AWEZNQCLSA-N -1 1 368.861 3.347 20 10 FGCDMM O=C(COC(=O)c1cccc(-c2cscn2)c1)c1ccc([O-])c(O)c1 ZINC000783926144 724804395 /nfs/dbraw/zinc/80/43/95/724804395.db2.gz YNNFRZSPTYJFQW-UHFFFAOYSA-N -1 1 355.371 3.261 20 10 FGCDMM C[C@H](CSc1ccc(F)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784106972 724821787 /nfs/dbraw/zinc/82/17/87/724821787.db2.gz ZNVYOISBBJYXPH-LLVKDONJSA-N -1 1 364.394 3.391 20 10 FGCDMM Cn1cc(CNCc2cc(Cl)cc(Cl)c2[O-])c(Br)n1 ZINC000720629539 722419402 /nfs/dbraw/zinc/41/94/02/722419402.db2.gz ZIOLKXQMVAVNRD-UHFFFAOYSA-N -1 1 365.058 3.485 20 10 FGCDMM CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000742027513 722551420 /nfs/dbraw/zinc/55/14/20/722551420.db2.gz GOOXWVVULXMIEU-UHFFFAOYSA-N -1 1 360.479 3.447 20 10 FGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(SC(F)F)cc2)n1 ZINC000747654083 722654706 /nfs/dbraw/zinc/65/47/06/722654706.db2.gz KKFFRYSHXIMBGW-UHFFFAOYSA-N -1 1 371.438 3.422 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1[O-] ZINC000748051471 722673211 /nfs/dbraw/zinc/67/32/11/722673211.db2.gz YMWUREKGSREDAU-UHFFFAOYSA-N -1 1 368.861 3.301 20 10 FGCDMM C[C@@H](NCc1nnc2n1CCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000756389051 722963798 /nfs/dbraw/zinc/96/37/98/722963798.db2.gz AMBHIANWTFMLPE-MRVPVSSYSA-N -1 1 371.666 3.197 20 10 FGCDMM CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789953926 723087889 /nfs/dbraw/zinc/08/78/89/723087889.db2.gz BFKMWLCVAQPTPY-UHFFFAOYSA-N -1 1 359.275 3.408 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000789975118 723090109 /nfs/dbraw/zinc/09/01/09/723090109.db2.gz RCFNSQWRIPWGGA-AWEZNQCLSA-N -1 1 351.761 3.104 20 10 FGCDMM CC[C@@H](CNC(=O)c1c([O-])c(O)ccc1F)Oc1ccccc1Cl ZINC000789992852 723092262 /nfs/dbraw/zinc/09/22/62/723092262.db2.gz PRNZQNURPFTPNB-JTQLQIEISA-N -1 1 353.777 3.478 20 10 FGCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1N1C(=O)CNC1=O ZINC000793357028 723428708 /nfs/dbraw/zinc/42/87/08/723428708.db2.gz KMQPOAAUPBPTRY-UHFFFAOYSA-N -1 1 363.776 3.161 20 10 FGCDMM CC[C@@H]1NC(=O)N(c2cccc(NCc3cccc(Cl)c3[O-])c2)C1=O ZINC000793359309 723429037 /nfs/dbraw/zinc/42/90/37/723429037.db2.gz VZQMLNCNAKEHRL-HNNXBMFYSA-N -1 1 359.813 3.493 20 10 FGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cccc(OC(F)(F)F)c1F ZINC000793414877 723435733 /nfs/dbraw/zinc/43/57/33/723435733.db2.gz HYWDUDANVWBWBQ-UHFFFAOYSA-N -1 1 369.267 3.370 20 10 FGCDMM O=C(NCCc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000764744213 723441631 /nfs/dbraw/zinc/44/16/31/723441631.db2.gz HAIUDUMTEXNMEL-UHFFFAOYSA-N -1 1 367.218 3.336 20 10 FGCDMM CCOC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000764808320 723448913 /nfs/dbraw/zinc/44/89/13/723448913.db2.gz WXCVGKYKTKMISH-CYBMUJFWSA-N -1 1 359.264 3.015 20 10 FGCDMM O=C(C[C@@H](O)c1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765730279 723535917 /nfs/dbraw/zinc/53/59/17/723535917.db2.gz RUXIDQHIIZXYDD-CQSZACIVSA-N -1 1 368.202 3.034 20 10 FGCDMM O=C(NCc1cccc(Br)c1O)c1ccc(Cl)cc1[O-] ZINC000765754201 723538522 /nfs/dbraw/zinc/53/85/22/723538522.db2.gz SIQXBTZNGCYMTC-UHFFFAOYSA-N -1 1 356.603 3.444 20 10 FGCDMM CC(C)(C)c1nnsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765945446 723547998 /nfs/dbraw/zinc/54/79/98/723547998.db2.gz YYROMPHLQHBJAZ-UHFFFAOYSA-N -1 1 370.272 3.234 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)OC[C@H]2C)c1[O-] ZINC000796307481 723631965 /nfs/dbraw/zinc/63/19/65/723631965.db2.gz LSNPBUCFOOIULT-AMIZOPFISA-N -1 1 351.752 3.400 20 10 FGCDMM COc1ccc(OC)c(CN(CCO)Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000775698676 724027211 /nfs/dbraw/zinc/02/72/11/724027211.db2.gz VOORBRAQKAUYPA-UHFFFAOYSA-N -1 1 369.820 3.196 20 10 FGCDMM CC(C)(C)Sc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccn1 ZINC000784583724 724865592 /nfs/dbraw/zinc/86/55/92/724865592.db2.gz BVKNCNHAFPOGOJ-UHFFFAOYSA-N -1 1 361.419 3.423 20 10 FGCDMM O=C(COC(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccc([O-])c(O)c1 ZINC000784865352 724881224 /nfs/dbraw/zinc/88/12/24/724881224.db2.gz YMFJAUMTMZCUSZ-UHFFFAOYSA-N -1 1 358.243 3.295 20 10 FGCDMM O=C(COC(=O)c1cccc(Br)c1F)c1ccc([O-])c(O)c1 ZINC000784974880 724888027 /nfs/dbraw/zinc/88/80/27/724888027.db2.gz WOTMFYBHZRJGHZ-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM CN(C)C(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809709250 725260899 /nfs/dbraw/zinc/26/08/99/725260899.db2.gz OHVFYBKLWMJRHF-CYBMUJFWSA-N -1 1 371.821 3.007 20 10 FGCDMM O=S(=O)(CC12CCC(CC1)C2)NCc1cccc(Br)c1[O-] ZINC000812509550 725398783 /nfs/dbraw/zinc/39/87/83/725398783.db2.gz PPTVHAPLRWBBPR-UHFFFAOYSA-N -1 1 374.300 3.154 20 10 FGCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1s[n-]c(=O)c1Cl ZINC000813684371 726904909 /nfs/dbraw/zinc/90/49/09/726904909.db2.gz PGWRPFNSQPKZAE-UHFFFAOYSA-N -1 1 353.614 3.445 20 10 FGCDMM CC(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000816496387 727168057 /nfs/dbraw/zinc/16/80/57/727168057.db2.gz IEZNNZWLXXNREZ-UHFFFAOYSA-N -1 1 354.225 3.349 20 10 FGCDMM Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3c([O-])c(O)ccc3F)C2)c1 ZINC000831314539 729632515 /nfs/dbraw/zinc/63/25/15/729632515.db2.gz LISXPXFJQCKEID-GOSISDBHSA-N -1 1 351.324 3.395 20 10 FGCDMM CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757755 739827131 /nfs/dbraw/zinc/82/71/31/739827131.db2.gz KPKYXOFGZSXHKD-AWEZNQCLSA-N -1 1 352.862 3.089 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000890761797 739828509 /nfs/dbraw/zinc/82/85/09/739828509.db2.gz YLDCNKFMLHPGBY-QWRGUYRKSA-N -1 1 351.752 3.409 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000890761798 739828608 /nfs/dbraw/zinc/82/86/08/739828608.db2.gz YLDCNKFMLHPGBY-WDEREUQCSA-N -1 1 351.752 3.409 20 10 FGCDMM Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916589633 758102407 /nfs/dbraw/zinc/10/24/07/758102407.db2.gz ZKDLUGORTVTPDB-UHFFFAOYSA-N -1 1 356.161 3.027 20 10 FGCDMM COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(Cl)c1[O-] ZINC000153919236 496623826 /nfs/dbraw/zinc/62/38/26/496623826.db2.gz XTWUQXWPZNYFAW-UHFFFAOYSA-N -1 1 362.813 3.159 20 10 FGCDMM COc1c([O-])c(CN2C[C@@H](c3ccsc3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278166012 497025633 /nfs/dbraw/zinc/02/56/33/497025633.db2.gz FESOUENRGZMSTD-NHYWBVRUSA-N -1 1 364.423 3.333 20 10 FGCDMM Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000279620724 497489356 /nfs/dbraw/zinc/48/93/56/497489356.db2.gz YGTZTUNBFBLVSM-NEPJUHHUSA-N -1 1 368.397 3.201 20 10 FGCDMM O=C([O-])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000296857801 498225262 /nfs/dbraw/zinc/22/52/62/498225262.db2.gz KVMSPDWOFACOOP-OXBTWTFQSA-N -1 1 352.394 3.447 20 10 FGCDMM O=C([O-])[C@H]1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000296857801 498225265 /nfs/dbraw/zinc/22/52/65/498225265.db2.gz KVMSPDWOFACOOP-OXBTWTFQSA-N -1 1 352.394 3.447 20 10 FGCDMM CC[C@H](CO)NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294503126 498711857 /nfs/dbraw/zinc/71/18/57/498711857.db2.gz BOTFMOMFNMCYEJ-CYBMUJFWSA-N -1 1 366.820 3.298 20 10 FGCDMM O=C1CCCC(=O)N1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000375333496 499508229 /nfs/dbraw/zinc/50/82/29/499508229.db2.gz SUMCHFIKNUREKX-UHFFFAOYSA-N -1 1 371.264 3.203 20 10 FGCDMM COc1ccc2ccc([O-])c(C[N@H+](CCC(=O)[O-])C3CCOCC3)c2c1 ZINC000832504731 600720377 /nfs/dbraw/zinc/72/03/77/600720377.db2.gz VLANQTZBFGZIQK-UHFFFAOYSA-N -1 1 359.422 3.010 20 10 FGCDMM COc1ccc2ccc([O-])c(C[N@@H+](CCC(=O)[O-])C3CCOCC3)c2c1 ZINC000832504731 600720379 /nfs/dbraw/zinc/72/03/79/600720379.db2.gz VLANQTZBFGZIQK-UHFFFAOYSA-N -1 1 359.422 3.010 20 10 FGCDMM Cc1nnc(SCC(=O)c2ccc([O-])c(O)c2)n1-c1ccccc1C ZINC000005619465 695549994 /nfs/dbraw/zinc/54/99/94/695549994.db2.gz XNEVXCKCEKCHDR-UHFFFAOYSA-N -1 1 355.419 3.270 20 10 FGCDMM O=S(=O)([N-]CCCSc1nccs1)c1cc2ccccc2o1 ZINC000084938131 700365351 /nfs/dbraw/zinc/36/53/51/700365351.db2.gz JSYOIFJQUGHOJV-UHFFFAOYSA-N -1 1 354.478 3.350 20 10 FGCDMM O=C(CCn1c(=S)[n-]nc1-c1cccs1)NCc1ccccc1O ZINC000109677253 700535745 /nfs/dbraw/zinc/53/57/45/700535745.db2.gz VQYBZSNQUSKFFL-UHFFFAOYSA-N -1 1 360.464 3.081 20 10 FGCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cccc(C(F)F)c1 ZINC000780377281 724459709 /nfs/dbraw/zinc/45/97/09/724459709.db2.gz KBLDNYVXTBCAMW-UHFFFAOYSA-N -1 1 368.405 3.262 20 10 FGCDMM CCNC(=O)COc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756803093 722970222 /nfs/dbraw/zinc/97/02/22/722970222.db2.gz NLJMNZLEHKAJBN-LLVKDONJSA-N -1 1 350.365 3.358 20 10 FGCDMM O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1c([O-])c(O)ccc1F ZINC000789995142 723092107 /nfs/dbraw/zinc/09/21/07/723092107.db2.gz DRSCSXSONSQQFW-NSHDSACASA-N -1 1 360.168 3.007 20 10 FGCDMM CCc1ccccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000761561910 723165511 /nfs/dbraw/zinc/16/55/11/723165511.db2.gz IEYYZGCZXUJVHB-UHFFFAOYSA-N -1 1 359.407 3.043 20 10 FGCDMM CCCc1cc(NCc2cccc(Br)c2[O-])n2ncnc2n1 ZINC000764934808 723460728 /nfs/dbraw/zinc/46/07/28/723460728.db2.gz MNAZLVXCGUATCK-UHFFFAOYSA-N -1 1 362.231 3.157 20 10 FGCDMM O=[N+]([O-])c1c(NCc2cccc(Br)c2[O-])nc2sccn21 ZINC000764935335 723460972 /nfs/dbraw/zinc/46/09/72/723460972.db2.gz RQHJNFZOQSBYBZ-UHFFFAOYSA-N -1 1 369.200 3.384 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)CCO2 ZINC000765229457 723496569 /nfs/dbraw/zinc/49/65/69/723496569.db2.gz VVXWHQIZBROSMN-UHFFFAOYSA-N -1 1 363.211 3.411 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnn(C(F)F)c1 ZINC000765330410 723506057 /nfs/dbraw/zinc/50/60/57/723506057.db2.gz VMRUAWMTRQGJNV-UHFFFAOYSA-N -1 1 361.146 3.068 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccn(-c2ccccc2)n1 ZINC000765728525 723535640 /nfs/dbraw/zinc/53/56/40/723535640.db2.gz VAYQDISRASVZAV-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(Cl)n1 ZINC000765735968 723536596 /nfs/dbraw/zinc/53/65/96/723536596.db2.gz JMQBNMIRDCBGBT-UHFFFAOYSA-N -1 1 355.619 3.442 20 10 FGCDMM COc1cc(CC(=O)NCc2cccc(Br)c2[O-])ccc1C ZINC000765736027 723536627 /nfs/dbraw/zinc/53/66/27/723536627.db2.gz JVHLLBJZEHRPFT-UHFFFAOYSA-N -1 1 364.239 3.331 20 10 FGCDMM CC(C)Nc1ncccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751961 723538270 /nfs/dbraw/zinc/53/82/70/723538270.db2.gz VISCEZLONBEUGC-UHFFFAOYSA-N -1 1 364.243 3.300 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc2ccc(Br)cc2n1 ZINC000771519784 723736964 /nfs/dbraw/zinc/73/69/64/723736964.db2.gz IDLNRRXLULAGAG-IZZDOVSWSA-N -1 1 351.250 3.486 20 10 FGCDMM CCc1nsc(N2CCCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1 ZINC000775735089 724034233 /nfs/dbraw/zinc/03/42/33/724034233.db2.gz GEBIMHAKNCZALP-UHFFFAOYSA-N -1 1 370.881 3.311 20 10 FGCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1 ZINC000776749048 724179197 /nfs/dbraw/zinc/17/91/97/724179197.db2.gz VNFPWGUHGJZCAW-UHFFFAOYSA-N -1 1 355.799 3.023 20 10 FGCDMM CC[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786584094 724990176 /nfs/dbraw/zinc/99/01/76/724990176.db2.gz FIDVVWHXTIMPIS-MRXNPFEDSA-N -1 1 364.781 3.335 20 10 FGCDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115784 725184657 /nfs/dbraw/zinc/18/46/57/725184657.db2.gz SAPVLQHQNRHSPD-UHFFFAOYSA-N -1 1 360.750 3.202 20 10 FGCDMM COc1ccc(CS(C)(=O)=O)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000809695957 725259554 /nfs/dbraw/zinc/25/95/54/725259554.db2.gz WBYAIRTTZOEDFB-UHFFFAOYSA-N -1 1 373.833 3.350 20 10 FGCDMM CCn1nc(C)c(CN[C@@H](C)c2cc(Br)cc(F)c2[O-])n1 ZINC000818347258 727308833 /nfs/dbraw/zinc/30/88/33/727308833.db2.gz YSWZJAMEWWNNKX-QMMMGPOBSA-N -1 1 357.227 3.064 20 10 FGCDMM CS(=O)(=O)CCOc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000826862028 729417236 /nfs/dbraw/zinc/41/72/36/729417236.db2.gz RHZJJENZFCQCPH-UHFFFAOYSA-N -1 1 373.833 3.220 20 10 FGCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])C1CCC(O)CC1 ZINC000841429500 730242695 /nfs/dbraw/zinc/24/26/95/730242695.db2.gz IDFWLPZRWQKWSN-UHFFFAOYSA-N -1 1 370.287 3.348 20 10 FGCDMM O=S(=O)(CCC1Cc2ccccc2C1)Nc1ccc([O-])c(F)c1F ZINC000844665150 730748940 /nfs/dbraw/zinc/74/89/40/730748940.db2.gz XJOKDIWJSQEEPJ-UHFFFAOYSA-N -1 1 353.390 3.217 20 10 FGCDMM C[N@H+](CC1=CCSC1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000853619106 731733093 /nfs/dbraw/zinc/73/30/93/731733093.db2.gz VXPRVFPMAWYCOO-UHFFFAOYSA-N -1 1 355.459 3.434 20 10 FGCDMM C[N@@H+](CC1=CCSC1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000853619106 731733103 /nfs/dbraw/zinc/73/31/03/731733103.db2.gz VXPRVFPMAWYCOO-UHFFFAOYSA-N -1 1 355.459 3.434 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000890759361 739828069 /nfs/dbraw/zinc/82/80/69/739828069.db2.gz AFYJZQYGRTVOPV-ZIAGYGMSSA-N -1 1 359.809 3.237 20 10 FGCDMM CC(C)(C)OC(=O)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000890761182 739828462 /nfs/dbraw/zinc/82/84/62/739828462.db2.gz MYKSQKZWUCJHBC-UHFFFAOYSA-N -1 1 362.813 3.326 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC000890763350 739829134 /nfs/dbraw/zinc/82/91/34/739829134.db2.gz SVZYJAUTMVBZQB-MQMHXKEQSA-N -1 1 360.845 3.123 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC000890763135 739829258 /nfs/dbraw/zinc/82/92/58/739829258.db2.gz OKGYBLJVHMRIJN-MQMHXKEQSA-N -1 1 360.845 3.123 20 10 FGCDMM COC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccc(OC)c1 ZINC000895729476 742448339 /nfs/dbraw/zinc/44/83/39/742448339.db2.gz PYIPDVYQXCTUMJ-INIZCTEOSA-N -1 1 364.829 3.241 20 10 FGCDMM O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1cccc(Cl)c1[O-] ZINC000896649488 742576756 /nfs/dbraw/zinc/57/67/56/742576756.db2.gz JGUZQURMRSQGNB-JQWIXIFHSA-N -1 1 366.767 3.345 20 10 FGCDMM O=S(=O)(C[C@H]1CCCC(F)(F)C1)NCc1cccc(Cl)c1[O-] ZINC000908330033 744279535 /nfs/dbraw/zinc/27/95/35/744279535.db2.gz WLHBVMYMGPPXRM-JTQLQIEISA-N -1 1 353.818 3.291 20 10 FGCDMM O=S(=O)(CC[C@H]1CC1(Cl)Cl)NCc1cccc(Cl)c1[O-] ZINC000908330487 744279929 /nfs/dbraw/zinc/27/99/29/744279929.db2.gz ZDMNJHOWGPQZCW-VIFPVBQESA-N -1 1 358.674 3.049 20 10 FGCDMM Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591631 758102156 /nfs/dbraw/zinc/10/21/56/758102156.db2.gz YLSAVEUUMJWXPG-LLVKDONJSA-N -1 1 364.781 3.253 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)[N-]C1=S ZINC000920976878 758626879 /nfs/dbraw/zinc/62/68/79/758626879.db2.gz ZSHWVNWLJDPYFM-UXBLZVDNSA-N -1 1 372.277 3.189 20 10 FGCDMM Cc1cnc(CNC(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000926760446 759817153 /nfs/dbraw/zinc/81/71/53/759817153.db2.gz MZAKUCCUWITKNO-UHFFFAOYSA-N -1 1 364.243 3.166 20 10 FGCDMM COc1cc(OC)c(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(OC)c1 ZINC000273446080 496807802 /nfs/dbraw/zinc/80/78/02/496807802.db2.gz ZXTHJJRNQIUILN-LLVKDONJSA-N -1 1 362.382 3.177 20 10 FGCDMM CC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2n1CCCCC2 ZINC000273563003 496841661 /nfs/dbraw/zinc/84/16/61/496841661.db2.gz IRIQJXRBJZKQKP-IUODEOHRSA-N -1 1 359.430 3.420 20 10 FGCDMM CC[C@H]1C[C@@H](CC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277658217 496844227 /nfs/dbraw/zinc/84/42/27/496844227.db2.gz ZQFLRYCSUNDYIJ-AAEUAGOBSA-N -1 1 356.260 3.366 20 10 FGCDMM C[C@H]1CCCC[C@H]1c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273858540 496933887 /nfs/dbraw/zinc/93/38/87/496933887.db2.gz MCWUQPNEAHOMDB-CMPLNLGQSA-N -1 1 351.428 3.107 20 10 FGCDMM COc1c([O-])c(CN(C)Cc2nc3c(s2)CCCC3)ccc1[N+](=O)[O-] ZINC000278234253 497046213 /nfs/dbraw/zinc/04/62/13/497046213.db2.gz NDXYBVKGSLEXLT-UHFFFAOYSA-N -1 1 363.439 3.276 20 10 FGCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000280923084 497951502 /nfs/dbraw/zinc/95/15/02/497951502.db2.gz ILAZXVIVOLTVNO-UHFFFAOYSA-N -1 1 356.260 3.224 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)C(C)(C)C)CC2)c1[O-] ZINC000361358644 498378397 /nfs/dbraw/zinc/37/83/97/498378397.db2.gz MSYCLENXNQBGJC-UHFFFAOYSA-N -1 1 366.889 3.329 20 10 FGCDMM CCn1cnnc1[C@H]1CN([C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC000365525719 498512543 /nfs/dbraw/zinc/51/25/43/498512543.db2.gz DHTKULJIYSMUKM-MEBBXXQBSA-N -1 1 371.268 3.445 20 10 FGCDMM C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833695003 604646394 /nfs/dbraw/zinc/64/63/94/604646394.db2.gz WLHXFFXHSDHKEL-CQSZACIVSA-N -1 1 350.758 3.212 20 10 FGCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cc(F)c(F)cc1F ZINC000170939792 705366744 /nfs/dbraw/zinc/36/67/44/705366744.db2.gz KNUYQPHRKFODNO-UHFFFAOYSA-N -1 1 370.396 3.183 20 10 FGCDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245726292 713610752 /nfs/dbraw/zinc/61/07/52/713610752.db2.gz IUTKWTIIHKYXSV-UONOGXRCSA-N -1 1 366.310 3.487 20 10 FGCDMM CN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245726302 713610792 /nfs/dbraw/zinc/61/07/92/713610792.db2.gz IUTKWTIIHKYXSV-ZIAGYGMSSA-N -1 1 366.310 3.487 20 10 FGCDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(F)c1 ZINC000522112345 714170910 /nfs/dbraw/zinc/17/09/10/714170910.db2.gz GOAOSQCKVZPNGN-UHFFFAOYSA-N -1 1 367.427 3.418 20 10 FGCDMM CC(C)c1ccoc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000752901154 722876760 /nfs/dbraw/zinc/87/67/60/722876760.db2.gz CDJPJXIMGKQQSO-UHFFFAOYSA-N -1 1 363.395 3.197 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1 ZINC000790416719 723137753 /nfs/dbraw/zinc/13/77/53/723137753.db2.gz CBQVKIPEJICMJG-UHFFFAOYSA-N -1 1 369.826 3.195 20 10 FGCDMM O=S(=O)(NC1CC1)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000792175581 723318629 /nfs/dbraw/zinc/31/86/29/723318629.db2.gz WKOSBWZIBHVBEG-UHFFFAOYSA-N -1 1 370.833 3.238 20 10 FGCDMM Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1N1C(=O)CNC1=O ZINC000793358532 723429123 /nfs/dbraw/zinc/42/91/23/723429123.db2.gz QFDLYECOWQTMKI-UHFFFAOYSA-N -1 1 363.776 3.161 20 10 FGCDMM Cc1cc(C)nc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765346722 723507322 /nfs/dbraw/zinc/50/73/22/723507322.db2.gz UEBDGOMJWJEZEL-UHFFFAOYSA-N -1 1 350.216 3.488 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](F)Cc1ccccc1 ZINC000765729647 723536002 /nfs/dbraw/zinc/53/60/02/723536002.db2.gz RALNNNFVTYELBP-CQSZACIVSA-N -1 1 352.203 3.352 20 10 FGCDMM O=C(Cc1c[nH]c2ccccc12)NCc1cccc(Br)c1[O-] ZINC000765754296 723538553 /nfs/dbraw/zinc/53/85/53/723538553.db2.gz VEQIDJOOMGLXCP-UHFFFAOYSA-N -1 1 359.223 3.495 20 10 FGCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])s1 ZINC000766208213 723561521 /nfs/dbraw/zinc/56/15/21/723561521.db2.gz WNDXDZBKUWJNBZ-UHFFFAOYSA-N -1 1 362.270 3.003 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1O ZINC000797820431 723866763 /nfs/dbraw/zinc/86/67/63/723866763.db2.gz XMXDTLBMPFLZDX-UHFFFAOYSA-N -1 1 365.304 3.360 20 10 FGCDMM CC[C@@H](NCc1nnnn1CC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775555224 723999857 /nfs/dbraw/zinc/99/98/57/723999857.db2.gz UKWBZZQGLXLAFV-GFCCVEGCSA-N -1 1 356.257 3.336 20 10 FGCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1c(F)ccc([O-])c1F ZINC000809615233 725252495 /nfs/dbraw/zinc/25/24/95/725252495.db2.gz WPOHGNDAQQIJEM-UHFFFAOYSA-N -1 1 364.417 3.154 20 10 FGCDMM CCOC(=O)c1ccc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000809743222 725264459 /nfs/dbraw/zinc/26/44/59/725264459.db2.gz MZTAOACFBWDAPI-UHFFFAOYSA-N -1 1 354.746 3.013 20 10 FGCDMM O=C1N=C(SCc2nn[n-]n2)SC1=Cc1csc2ccccc12 ZINC000814772337 726998409 /nfs/dbraw/zinc/99/84/09/726998409.db2.gz UATQLXHKMSADSB-VZUCSPMQSA-N -1 1 359.461 3.318 20 10 FGCDMM CCNC(=O)COc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816522936 727171490 /nfs/dbraw/zinc/17/14/90/727171490.db2.gz VHXIQDRJEPZWMA-UHFFFAOYSA-N -1 1 352.793 3.312 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ccc(COCCO)cc1 ZINC000818233340 727302569 /nfs/dbraw/zinc/30/25/69/727302569.db2.gz JHTHUXFKNJUTOQ-UHFFFAOYSA-N -1 1 352.228 3.276 20 10 FGCDMM CN1CC[C@H](NC(=O)c2c([O-])c(O)ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000827492106 729430977 /nfs/dbraw/zinc/43/09/77/729430977.db2.gz UWEUTTAUCPYXEX-BBRMVZONSA-N -1 1 364.804 3.066 20 10 FGCDMM C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827851359 729435968 /nfs/dbraw/zinc/43/59/68/729435968.db2.gz TWZTXMOLOSPVRL-PELKAZGASA-N -1 1 368.758 3.074 20 10 FGCDMM CC[C@@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000849309084 731245462 /nfs/dbraw/zinc/24/54/62/731245462.db2.gz AGCADWWKIVFGJL-GFCCVEGCSA-N -1 1 351.424 3.379 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN1CCS[C@H]2COCC[C@H]21 ZINC000894083489 742236353 /nfs/dbraw/zinc/23/63/53/742236353.db2.gz DZDDWDCQGAJJCW-OLZOCXBDSA-N -1 1 362.264 3.000 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@]12CCO[C@H]1CCCC2 ZINC000935663514 761917647 /nfs/dbraw/zinc/91/76/47/761917647.db2.gz UZJJBHPJZVHBMX-BBRMVZONSA-N -1 1 354.244 3.120 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[C@H]1C(F)(F)F ZINC000926697387 759804909 /nfs/dbraw/zinc/80/49/09/759804909.db2.gz UOIAUHWGWWTRMP-DTWKUNHWSA-N -1 1 367.165 3.152 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nnc(C2CCOCC2)s1 ZINC000931567330 760898179 /nfs/dbraw/zinc/89/81/79/760898179.db2.gz CXLAFKVWWUKSEX-UHFFFAOYSA-N -1 1 368.846 3.113 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nnc([C@@H]2CCCO2)s1 ZINC000932229135 761097914 /nfs/dbraw/zinc/09/79/14/761097914.db2.gz YVONZKRNOVQVDO-JTQLQIEISA-N -1 1 354.819 3.070 20 10 FGCDMM C[C@H]1CCC[C@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)C1 ZINC000273996745 496986462 /nfs/dbraw/zinc/98/64/62/496986462.db2.gz UGNMAQRNPVJVNX-QWRGUYRKSA-N -1 1 351.428 3.107 20 10 FGCDMM CC(C)n1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278225832 497043017 /nfs/dbraw/zinc/04/30/17/497043017.db2.gz WKGHRPNUOGXXIJ-UHFFFAOYSA-N -1 1 353.220 3.254 20 10 FGCDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N3CCCCC3)cc2)[n-]c1=O ZINC000193264789 497337485 /nfs/dbraw/zinc/33/74/85/497337485.db2.gz DCIOITGSXYOBSE-FYWRMAATSA-N -1 1 367.449 3.497 20 10 FGCDMM CC[C@@H](NCc1nnc2n1CCOC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000365152276 498325835 /nfs/dbraw/zinc/32/58/35/498325835.db2.gz BINCKQMKECUSGX-LLVKDONJSA-N -1 1 357.241 3.062 20 10 FGCDMM COc1c([O-])c(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826982 498657557 /nfs/dbraw/zinc/65/75/57/498657557.db2.gz RFBBHAPAGZBMDJ-OAHLLOKOSA-N -1 1 374.441 3.294 20 10 FGCDMM COCc1nc(C[NH2+]Cc2cc(Br)cc(C)c2O)cs1 ZINC000291519981 498975062 /nfs/dbraw/zinc/97/50/62/498975062.db2.gz JAWVKZQSJYYCJH-UHFFFAOYSA-N -1 1 357.273 3.356 20 10 FGCDMM CCCC(=O)N1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000370207138 499197358 /nfs/dbraw/zinc/19/73/58/499197358.db2.gz SDGAVURMRBNFEJ-UHFFFAOYSA-N -1 1 352.862 3.083 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000375875067 499564088 /nfs/dbraw/zinc/56/40/88/499564088.db2.gz SDNRDADAFCXFJA-ROUUACIJSA-N -1 1 364.873 3.224 20 10 FGCDMM CC(C)(C)c1cnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)s1 ZINC000819965377 607118252 /nfs/dbraw/zinc/11/82/52/607118252.db2.gz DHKADCDXFUYZMN-UHFFFAOYSA-N -1 1 363.428 3.075 20 10 FGCDMM Cc1ccc(-n2cnnc2SCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000023588633 695663166 /nfs/dbraw/zinc/66/31/66/695663166.db2.gz JLODHIGGEBSSKN-UHFFFAOYSA-N -1 1 355.419 3.270 20 10 FGCDMM O=S(=O)([N-]CCCSc1nccs1)c1cc(F)c(F)cc1F ZINC000117365138 700603091 /nfs/dbraw/zinc/60/30/91/700603091.db2.gz QDROPSLWYHYRLM-UHFFFAOYSA-N -1 1 368.427 3.021 20 10 FGCDMM CCOC(=O)N(C)C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000130840310 700807166 /nfs/dbraw/zinc/80/71/66/700807166.db2.gz MQGNDMNAVLEZSF-UHFFFAOYSA-N -1 1 371.821 3.007 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)ccc1O ZINC000182478491 705845846 /nfs/dbraw/zinc/84/58/46/705845846.db2.gz KKMGGHNYXYTCAY-UHFFFAOYSA-N -1 1 356.325 3.392 20 10 FGCDMM CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1Cl ZINC000804648677 724536569 /nfs/dbraw/zinc/53/65/69/724536569.db2.gz JRELPBAEBLUTKH-UHFFFAOYSA-N -1 1 368.842 3.232 20 10 FGCDMM O=C(COC(=O)c1cc(Cl)nc2ccccc21)c1ccc([O-])c(O)c1 ZINC000782370479 724659894 /nfs/dbraw/zinc/65/98/94/724659894.db2.gz VDPYYPSVHOPRSQ-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM Cc1oc(-c2cccs2)nc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782919704 724709228 /nfs/dbraw/zinc/70/92/28/724709228.db2.gz MCGAMMRZBAKQHN-UHFFFAOYSA-N -1 1 359.359 3.162 20 10 FGCDMM O=C(COC(=O)c1ccc(F)cc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000784218433 724833627 /nfs/dbraw/zinc/83/36/27/724833627.db2.gz GCCFJGTVMGHILN-UHFFFAOYSA-N -1 1 358.243 3.295 20 10 FGCDMM COc1ccc(N2CCC(NC(=O)c3cc(Cl)ccc3[O-])CC2)cc1 ZINC000726627165 722436629 /nfs/dbraw/zinc/43/66/29/722436629.db2.gz HDVFWFFEHNVYBU-UHFFFAOYSA-N -1 1 360.841 3.453 20 10 FGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2c(C)cc(C)cc2Cl)n1 ZINC000747657630 722655018 /nfs/dbraw/zinc/65/50/18/722655018.db2.gz HQRNMELLWCXWFT-UHFFFAOYSA-N -1 1 351.863 3.377 20 10 FGCDMM COCCN(CC(=O)OC(C)(C)C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750044004 722752839 /nfs/dbraw/zinc/75/28/39/722752839.db2.gz ZRJGYICBBLTUIG-UHFFFAOYSA-N -1 1 371.861 3.038 20 10 FGCDMM CN(C)c1ccc(CN[C@@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000756347075 722963206 /nfs/dbraw/zinc/96/32/06/722963206.db2.gz FBROPYOIDFOWBP-MRXNPFEDSA-N -1 1 363.255 3.431 20 10 FGCDMM C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000756379766 722963614 /nfs/dbraw/zinc/96/36/14/722963614.db2.gz BMRJFMFNVASODH-XPTSAGLGSA-N -1 1 367.218 3.171 20 10 FGCDMM C[C@@H](N[C@@H](C)c1nncn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000756533648 722966300 /nfs/dbraw/zinc/96/63/00/722966300.db2.gz JVPQVGKVOKVFJV-SFYZADRCSA-N -1 1 359.655 3.348 20 10 FGCDMM COCC(=O)Nc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790948849 723198264 /nfs/dbraw/zinc/19/82/64/723198264.db2.gz HHNLRRNRECCYPG-UHFFFAOYSA-N -1 1 352.793 3.059 20 10 FGCDMM C/C=C\C[C@H](NCc1cc(C)cc(Br)c1[O-])C(=O)OCC ZINC000763359964 723336677 /nfs/dbraw/zinc/33/66/77/723336677.db2.gz ULHREXUQXVXJCV-SDQPKGBYSA-N -1 1 356.260 3.451 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(C2CC2)nn1 ZINC000765314967 723505055 /nfs/dbraw/zinc/50/50/55/723505055.db2.gz CZEPKTYEPPDQPC-UHFFFAOYSA-N -1 1 363.215 3.144 20 10 FGCDMM COC1CCC(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765535601 723521419 /nfs/dbraw/zinc/52/14/19/723521419.db2.gz FEPOVGMUUAVMLA-UHFFFAOYSA-N -1 1 371.275 3.159 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCCS1 ZINC000765535986 723521836 /nfs/dbraw/zinc/52/18/36/723521836.db2.gz MERTUAREEYHEDT-NSHDSACASA-N -1 1 359.289 3.240 20 10 FGCDMM COc1ccc(/C=C/C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765725928 723535120 /nfs/dbraw/zinc/53/51/20/723535120.db2.gz AHCDSEPKDWNPEI-JXMROGBWSA-N -1 1 362.223 3.493 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1-c1ccccc1 ZINC000765727033 723535457 /nfs/dbraw/zinc/53/54/57/723535457.db2.gz JSPGYBPYEZIGSC-UHFFFAOYSA-N -1 1 372.222 3.475 20 10 FGCDMM O=C(Cc1ccc(F)c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765750514 723537816 /nfs/dbraw/zinc/53/78/16/723537816.db2.gz HOAQCNOTYDKZEZ-UHFFFAOYSA-N -1 1 356.166 3.292 20 10 FGCDMM COc1cccc(CCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765751174 723537941 /nfs/dbraw/zinc/53/79/41/723537941.db2.gz QUYJDQFZFGZQAR-UHFFFAOYSA-N -1 1 364.239 3.412 20 10 FGCDMM CNc1cc(C(=O)NCc2cccc(Br)c2[O-])cc(Cl)n1 ZINC000765758343 723538797 /nfs/dbraw/zinc/53/87/97/723538797.db2.gz VIEFQEOEWYKADS-UHFFFAOYSA-N -1 1 370.634 3.175 20 10 FGCDMM CC(C)Nc1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765945403 723547983 /nfs/dbraw/zinc/54/79/83/723547983.db2.gz WIFWHIQWBPKTNB-UHFFFAOYSA-N -1 1 364.243 3.300 20 10 FGCDMM Cc1ccc(F)c(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766201873 723560860 /nfs/dbraw/zinc/56/08/60/723560860.db2.gz WQSQLOCQFTZDCU-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM COc1ccc(Cn2nc(C)c(C=C3SC(=S)[N-]C3=O)c2C)cc1 ZINC000767341084 723615263 /nfs/dbraw/zinc/61/52/63/723615263.db2.gz PNZRAHGQMWMFNY-NVNXTCNLSA-N -1 1 359.476 3.046 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)ccc1O ZINC000797820163 723866855 /nfs/dbraw/zinc/86/68/55/723866855.db2.gz JHFCCYCGXGGGJO-UHFFFAOYSA-N -1 1 365.304 3.360 20 10 FGCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000776748941 724179191 /nfs/dbraw/zinc/17/91/91/724179191.db2.gz RGTNRQLWYBWXRR-UHFFFAOYSA-N -1 1 356.787 3.317 20 10 FGCDMM Cc1c(Br)scc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784787763 724877557 /nfs/dbraw/zinc/87/75/57/724877557.db2.gz RMAGRJVSPQCWEO-UHFFFAOYSA-N -1 1 371.208 3.270 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NCC1(C(F)(F)F)CC1 ZINC000805814938 725097994 /nfs/dbraw/zinc/09/79/94/725097994.db2.gz IBJRNEAZETWAFV-UHFFFAOYSA-N -1 1 367.165 3.296 20 10 FGCDMM CC(C)(C)c1ncc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000807416538 725160961 /nfs/dbraw/zinc/16/09/61/725160961.db2.gz IDIOCSZLUWTTAN-UHFFFAOYSA-N -1 1 364.243 3.172 20 10 FGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cc(F)c(F)cc1F ZINC000808113895 725184455 /nfs/dbraw/zinc/18/44/55/725184455.db2.gz KXDDCSWYMGDORJ-UHFFFAOYSA-N -1 1 355.696 3.403 20 10 FGCDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1N1C(=O)N[C@@H](C)C1=O ZINC000809786613 725268810 /nfs/dbraw/zinc/26/88/10/725268810.db2.gz GVIRLCDDHNUKBM-NSHDSACASA-N -1 1 359.813 3.411 20 10 FGCDMM O=C(COC(=O)c1cc2cc(Cl)sc2[nH]1)c1ccc([O-])c(O)c1 ZINC000811394864 725361359 /nfs/dbraw/zinc/36/13/59/725361359.db2.gz LHHMBPLYMBKMIY-UHFFFAOYSA-N -1 1 351.767 3.334 20 10 FGCDMM CCC[C@H](C(=O)OCC)S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000821190709 729067369 /nfs/dbraw/zinc/06/73/69/729067369.db2.gz FYUTZQZCUNNRFU-LLVKDONJSA-N -1 1 370.254 3.173 20 10 FGCDMM COc1ccccc1SC[C@H](C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825737179 729393676 /nfs/dbraw/zinc/39/36/76/729393676.db2.gz UVLFBKMVNLUESE-LLVKDONJSA-N -1 1 365.426 3.404 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000846659295 730971353 /nfs/dbraw/zinc/97/13/53/730971353.db2.gz LSMBQMJYMKDHJR-SFHVURJKSA-N -1 1 365.788 3.014 20 10 FGCDMM O=S(=O)(CCCOCc1ccccc1)Nc1ccc([O-])c(F)c1F ZINC000848452808 731166238 /nfs/dbraw/zinc/16/62/38/731166238.db2.gz AWWWJLUXHATNDO-UHFFFAOYSA-N -1 1 357.378 3.019 20 10 FGCDMM COC[C@@H](CC(C)(C)C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000848666618 731194211 /nfs/dbraw/zinc/19/42/11/731194211.db2.gz GBKSZRXTDRNEGK-GFCCVEGCSA-N -1 1 373.291 3.405 20 10 FGCDMM CCSC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000852627495 731610506 /nfs/dbraw/zinc/61/05/06/731610506.db2.gz DSQYWTZKYWJPOL-UHFFFAOYSA-N -1 1 359.289 3.240 20 10 FGCDMM Cn1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(C(C)(C)C)n1 ZINC000872371737 735621255 /nfs/dbraw/zinc/62/12/55/735621255.db2.gz QSNIPCWRXSCYRL-UHFFFAOYSA-N -1 1 361.826 3.017 20 10 FGCDMM C[S@@](=O)(=NS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000882712629 737481369 /nfs/dbraw/zinc/48/13/69/737481369.db2.gz FTGTXCMPTZGLBT-NRFANRHFSA-N -1 1 366.892 3.133 20 10 FGCDMM CCn1nc(C)c(CNCc2cc(Cl)cc(Br)c2[O-])n1 ZINC000883149814 737529339 /nfs/dbraw/zinc/52/93/39/737529339.db2.gz LPAQNKLMBBNNDB-UHFFFAOYSA-N -1 1 359.655 3.018 20 10 FGCDMM CC(=O)N(CCC(=O)NCc1cccc(Cl)c1[O-])Cc1ccccc1 ZINC000890757193 739827448 /nfs/dbraw/zinc/82/74/48/739827448.db2.gz AEOXDAMNFLOAFY-UHFFFAOYSA-N -1 1 360.841 3.101 20 10 FGCDMM CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762805 739828384 /nfs/dbraw/zinc/82/83/84/739828384.db2.gz JEFVYVLGCIHNMT-UHFFFAOYSA-N -1 1 368.861 3.355 20 10 FGCDMM O=C(CCN1C(=O)CCc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC000890760313 739828769 /nfs/dbraw/zinc/82/87/69/739828769.db2.gz ODNRFTJDPYTXBQ-UHFFFAOYSA-N -1 1 358.825 3.031 20 10 FGCDMM O=C(Cc1ccccc1N1CCCC1=O)NCc1cccc(Cl)c1[O-] ZINC000890763535 739829052 /nfs/dbraw/zinc/82/90/52/739829052.db2.gz XRMSBGGCPSPZJZ-UHFFFAOYSA-N -1 1 358.825 3.031 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ccnn1[C@H]1CCCOC1 ZINC000898097690 742744899 /nfs/dbraw/zinc/74/48/99/742744899.db2.gz UYXFAGFXZFZBMN-LBPRGKRZSA-N -1 1 352.232 3.315 20 10 FGCDMM O=C(C=Cc1nc2ccccc2s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594169 758103698 /nfs/dbraw/zinc/10/36/98/758103698.db2.gz WRDVBMNHEWGISI-FPLPWBNLSA-N -1 1 355.371 3.147 20 10 FGCDMM Cc1noc(C)c1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277641353 496838511 /nfs/dbraw/zinc/83/85/11/496838511.db2.gz YBIGHWVYJWXVIW-UHFFFAOYSA-N -1 1 353.216 3.009 20 10 FGCDMM COc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1F ZINC000738004034 600144440 /nfs/dbraw/zinc/14/44/40/600144440.db2.gz NOIJAMYPYHGYEJ-UHFFFAOYSA-N -1 1 353.777 3.280 20 10 FGCDMM COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1F ZINC000738004034 600144443 /nfs/dbraw/zinc/14/44/43/600144443.db2.gz NOIJAMYPYHGYEJ-UHFFFAOYSA-N -1 1 353.777 3.280 20 10 FGCDMM O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000318973937 604461959 /nfs/dbraw/zinc/46/19/59/604461959.db2.gz NDYRHUVAYXRVHF-OAHLLOKOSA-N -1 1 362.223 3.166 20 10 FGCDMM O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000318973937 604461960 /nfs/dbraw/zinc/46/19/60/604461960.db2.gz NDYRHUVAYXRVHF-OAHLLOKOSA-N -1 1 362.223 3.166 20 10 FGCDMM CS(=O)(=O)Nc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048796430 695889473 /nfs/dbraw/zinc/88/94/73/695889473.db2.gz YKDQWRRWXUSRNS-UHFFFAOYSA-N -1 1 371.256 3.138 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nccs3)CC2)c1[O-] ZINC000122702750 700694228 /nfs/dbraw/zinc/69/42/28/700694228.db2.gz ZHMNNUIAYXXMHI-UHFFFAOYSA-N -1 1 351.859 3.027 20 10 FGCDMM O=C(CSc1nc(-c2cc(F)cc(F)c2)n[nH]1)c1ccc(O)c(O)c1 ZINC000151121735 704912287 /nfs/dbraw/zinc/91/22/87/704912287.db2.gz SUBFPPZKJSYNCQ-UHFFFAOYSA-N -1 1 363.345 3.136 20 10 FGCDMM O=C(CSc1n[nH]c(-c2cc(F)cc(F)c2)n1)c1ccc([O-])c(O)c1 ZINC000151121735 704912289 /nfs/dbraw/zinc/91/22/89/704912289.db2.gz SUBFPPZKJSYNCQ-UHFFFAOYSA-N -1 1 363.345 3.136 20 10 FGCDMM Cc1oc(C2CC2)nc1C(=O)NCc1cccc(Br)c1[O-] ZINC000803214080 724437206 /nfs/dbraw/zinc/43/72/06/724437206.db2.gz MTRBRHDSEQJKTE-UHFFFAOYSA-N -1 1 351.200 3.259 20 10 FGCDMM COc1ccc(S[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783075812 724721532 /nfs/dbraw/zinc/72/15/32/724721532.db2.gz LNRMRRAJWOMWGU-LLVKDONJSA-N -1 1 362.403 3.013 20 10 FGCDMM C[C@H](Oc1ccc(F)cc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783660071 724775772 /nfs/dbraw/zinc/77/57/72/724775772.db2.gz PSFCADQSIFVQDU-VIFPVBQESA-N -1 1 368.744 3.084 20 10 FGCDMM Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000753779529 722912970 /nfs/dbraw/zinc/91/29/70/722912970.db2.gz LBNDGUWVEMGCPK-UHFFFAOYSA-N -1 1 355.799 3.161 20 10 FGCDMM COc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764748732 723442264 /nfs/dbraw/zinc/44/22/64/723442264.db2.gz ZSZZCPNYSNRUNN-UHFFFAOYSA-N -1 1 365.227 3.163 20 10 FGCDMM COc1ccc(C)nc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765346190 723507134 /nfs/dbraw/zinc/50/71/34/723507134.db2.gz TZBCFLWRWRDNHA-UHFFFAOYSA-N -1 1 366.215 3.188 20 10 FGCDMM COC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000765545395 723522970 /nfs/dbraw/zinc/52/29/70/723522970.db2.gz YHCFNSGGAXUGBZ-UHFFFAOYSA-N -1 1 371.275 3.303 20 10 FGCDMM CS(=O)(=O)C[C@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000765659298 723530921 /nfs/dbraw/zinc/53/09/21/723530921.db2.gz XPUHSNYPCKFZJL-HNNXBMFYSA-N -1 1 357.834 3.060 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(=O)[nH]c2ccccc21 ZINC000765732080 723535952 /nfs/dbraw/zinc/53/59/52/723535952.db2.gz PBDBQTPZNXVETK-UHFFFAOYSA-N -1 1 373.206 3.339 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1Cc2ccccc2S1 ZINC000765730535 723536044 /nfs/dbraw/zinc/53/60/44/723536044.db2.gz CTDZXXJQAOIORY-AWEZNQCLSA-N -1 1 364.264 3.488 20 10 FGCDMM CN(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765747029 723537554 /nfs/dbraw/zinc/53/75/54/723537554.db2.gz KBOKCXHFRJWOHY-UHFFFAOYSA-N -1 1 367.218 3.290 20 10 FGCDMM CO[C@@](C)(C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765748668 723537622 /nfs/dbraw/zinc/53/76/22/723537622.db2.gz ZOWDVGZSQFHUBH-QGZVFWFLSA-N -1 1 364.239 3.333 20 10 FGCDMM C[C@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765751181 723537913 /nfs/dbraw/zinc/53/79/13/723537913.db2.gz QYTODVKCKUYQBB-JTQLQIEISA-N -1 1 368.202 3.378 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(F)cc1[N+](=O)[O-] ZINC000765763594 723539103 /nfs/dbraw/zinc/53/91/03/723539103.db2.gz FBFBQMJESILTRL-UHFFFAOYSA-N -1 1 369.146 3.132 20 10 FGCDMM CC(C)Oc1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000768303955 723653462 /nfs/dbraw/zinc/65/34/62/723653462.db2.gz OJAVBIFNURYHPZ-UHFFFAOYSA-N -1 1 365.227 3.267 20 10 FGCDMM C[C@H]([N-]S(=O)(=O)c1c(F)cc(F)cc1F)c1ccc(N(C)C)cc1 ZINC000773089723 723776489 /nfs/dbraw/zinc/77/64/89/723776489.db2.gz UTGRDVVPSOROEQ-JTQLQIEISA-N -1 1 358.385 3.209 20 10 FGCDMM [O-]c1c(F)cc(Cl)cc1CN1CCCN(c2ncccc2F)CC1 ZINC000784675599 724871763 /nfs/dbraw/zinc/87/17/63/724871763.db2.gz LPCOONBZFMBTNR-UHFFFAOYSA-N -1 1 353.800 3.431 20 10 FGCDMM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786341097 724974070 /nfs/dbraw/zinc/97/40/70/724974070.db2.gz CJHSISHKFGUTBD-IAISJRAMSA-N -1 1 350.411 3.198 20 10 FGCDMM CCC(CC)(CNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000813874313 726920050 /nfs/dbraw/zinc/92/00/50/726920050.db2.gz ZEZOHOYIVMEOCB-UHFFFAOYSA-N -1 1 359.264 3.159 20 10 FGCDMM CS(=O)(=O)Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816527728 727171761 /nfs/dbraw/zinc/17/17/61/727171761.db2.gz WKOORXBTGMJCSK-UHFFFAOYSA-N -1 1 361.797 3.481 20 10 FGCDMM O=C1c2ccc(S(=O)(=O)[N-]c3ccc(O)cc3)cc2CC1(Cl)Cl ZINC000821119554 729060613 /nfs/dbraw/zinc/06/06/13/729060613.db2.gz TVYGVPDIRADHOT-UHFFFAOYSA-N -1 1 372.229 3.106 20 10 FGCDMM C[C@H]1C[C@H]1c1nnc2ccc(NCc3cccc(Br)c3[O-])nn21 ZINC000828032464 729438901 /nfs/dbraw/zinc/43/89/01/729438901.db2.gz WGNNTBXNCPRUJD-GXSJLCMTSA-N -1 1 374.242 3.328 20 10 FGCDMM COCCCn1cc(C)c(NCc2cccc(Br)c2[O-])n1 ZINC000830491940 729565503 /nfs/dbraw/zinc/56/55/03/729565503.db2.gz LQOWXTJIHWNNRF-UHFFFAOYSA-N -1 1 354.248 3.308 20 10 FGCDMM CC1(/C=C/C(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000831158283 729621876 /nfs/dbraw/zinc/62/18/76/729621876.db2.gz FAFZKRUIXWKLAE-AATRIKPKSA-N -1 1 354.244 3.144 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1nc2c(s1)CCC2 ZINC000841430115 730242861 /nfs/dbraw/zinc/24/28/61/730242861.db2.gz NEDVWSZPQAEJSK-UHFFFAOYSA-N -1 1 353.241 3.030 20 10 FGCDMM CC(C)(C)OC(=O)Cn1cc(NCc2cc(Cl)c(F)cc2[O-])cn1 ZINC000843413465 730617346 /nfs/dbraw/zinc/61/73/46/730617346.db2.gz KTOBLQBAIUFIRX-UHFFFAOYSA-N -1 1 355.797 3.335 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1nnc([C@@H]2CCCO2)s1 ZINC000865296199 733175580 /nfs/dbraw/zinc/17/55/80/733175580.db2.gz SSKFLTOLVJIUIX-JTQLQIEISA-N -1 1 356.245 3.470 20 10 FGCDMM O=C(Cn1nc(C(F)F)cc1C1CC1)NCc1cccc(Cl)c1[O-] ZINC000890762766 739828638 /nfs/dbraw/zinc/82/86/38/739828638.db2.gz IBTXTFCGFPLNCI-UHFFFAOYSA-N -1 1 355.772 3.374 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCN(c2ccccc2)C1 ZINC000891982535 739957232 /nfs/dbraw/zinc/95/72/32/739957232.db2.gz IRUYZLQAYVILAU-CQSZACIVSA-N -1 1 359.857 3.371 20 10 FGCDMM CC(C)C(=O)NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893944082 742217409 /nfs/dbraw/zinc/21/74/09/742217409.db2.gz OJWUTYZEWIRLBL-UHFFFAOYSA-N -1 1 373.266 3.030 20 10 FGCDMM O=C(C[C@@H]1CC[C@H](C2CC2)O1)NCc1cccc(Br)c1[O-] ZINC000935662702 761916688 /nfs/dbraw/zinc/91/66/88/761916688.db2.gz INJUUQNGAFWRKA-GXTWGEPZSA-N -1 1 354.244 3.119 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2ccc(C(C)(C)C)cc2)C(=O)[N-]C1=S ZINC000920974701 758627226 /nfs/dbraw/zinc/62/72/26/758627226.db2.gz QBHINDAPHFHFQW-XNTDXEJSSA-N -1 1 359.495 3.179 20 10 FGCDMM C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCS1 ZINC000927237696 759924509 /nfs/dbraw/zinc/92/45/09/759924509.db2.gz FJYCTOVEUZLZMJ-GXSJLCMTSA-N -1 1 359.289 3.238 20 10 FGCDMM COc1c([O-])c(CN2C[C@@H](C)O[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166003 497025053 /nfs/dbraw/zinc/02/50/53/497025053.db2.gz FESOUENRGZMSTD-ABAIWWIYSA-N -1 1 364.423 3.333 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000530273547 503903924 /nfs/dbraw/zinc/90/39/24/503903924.db2.gz JGSOOKHQOJFSKW-FQEVSTJZSA-N -1 1 357.381 3.237 20 10 FGCDMM COc1ccccc1[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)NC(=O)[O-] ZINC000739963666 602874906 /nfs/dbraw/zinc/87/49/06/602874906.db2.gz NYGREEJDNCQYNM-CQSZACIVSA-N -1 1 350.802 3.153 20 10 FGCDMM O=C([O-])Nc1ccc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000834259428 605462574 /nfs/dbraw/zinc/46/25/74/605462574.db2.gz ZCXDUVPPRPUQSC-INIZCTEOSA-N -1 1 357.410 3.058 20 10 FGCDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000833812806 605597371 /nfs/dbraw/zinc/59/73/71/605597371.db2.gz LROOWVJKENNVQW-WDEREUQCSA-N -1 1 357.248 3.023 20 10 FGCDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000833812806 605597373 /nfs/dbraw/zinc/59/73/73/605597373.db2.gz LROOWVJKENNVQW-WDEREUQCSA-N -1 1 357.248 3.023 20 10 FGCDMM CCOC(=O)[C@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781895443 724608684 /nfs/dbraw/zinc/60/86/84/724608684.db2.gz SGYSFZUOGPGKTP-CQSZACIVSA-N -1 1 356.260 3.381 20 10 FGCDMM CC(C)(C)n1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765303035 723504620 /nfs/dbraw/zinc/50/46/20/723504620.db2.gz LDBUKHWNILSWQS-UHFFFAOYSA-N -1 1 367.247 3.428 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)c1ccc2c(c1)CCC2 ZINC000765731696 723535785 /nfs/dbraw/zinc/53/57/85/723535785.db2.gz KIRKOZUWAXJYOK-UHFFFAOYSA-N -1 1 374.234 3.143 20 10 FGCDMM O=C(C[C@H](O)c1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765730277 723535858 /nfs/dbraw/zinc/53/58/58/723535858.db2.gz RUXIDQHIIZXYDD-AWEZNQCLSA-N -1 1 368.202 3.034 20 10 FGCDMM CO[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765729103 723535995 /nfs/dbraw/zinc/53/59/95/723535995.db2.gz YLPYPLRSPMQPCA-HNNXBMFYSA-N -1 1 350.212 3.159 20 10 FGCDMM COc1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765729269 723536031 /nfs/dbraw/zinc/53/60/31/723536031.db2.gz ZVSHOJWXPLTCQF-UHFFFAOYSA-N -1 1 350.212 3.022 20 10 FGCDMM C[C@@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765733250 723536374 /nfs/dbraw/zinc/53/63/74/723536374.db2.gz WDMUGPPELYMAMY-SNVBAGLBSA-N -1 1 368.202 3.378 20 10 FGCDMM COc1ccc(F)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765750751 723537882 /nfs/dbraw/zinc/53/78/82/723537882.db2.gz LDXHHEQHTRIEKI-UHFFFAOYSA-N -1 1 354.175 3.232 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnn1C1CCCC1 ZINC000765755145 723538399 /nfs/dbraw/zinc/53/83/99/723538399.db2.gz GTDMTWJZHROZGK-UHFFFAOYSA-N -1 1 364.243 3.396 20 10 FGCDMM COc1cccc(OC)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765771211 723539660 /nfs/dbraw/zinc/53/96/60/723539660.db2.gz VOWRATBKTQDTAK-UHFFFAOYSA-N -1 1 366.211 3.102 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)ccc1[N+](=O)[O-] ZINC000765771255 723539785 /nfs/dbraw/zinc/53/97/85/723539785.db2.gz XONYFRNJNTWGAG-UHFFFAOYSA-N -1 1 369.146 3.132 20 10 FGCDMM CCc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766206972 723561247 /nfs/dbraw/zinc/56/12/47/723561247.db2.gz KKBCMCNNHMJRJJ-UHFFFAOYSA-N -1 1 370.268 3.196 20 10 FGCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)c(OCc2cccnc2)c1 ZINC000766483261 723576258 /nfs/dbraw/zinc/57/62/58/723576258.db2.gz FUSJKYGFVVOKMF-VIZOYTHASA-N -1 1 358.444 3.158 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1cn(Cc2ccccc2)nn1 ZINC000795804960 723610264 /nfs/dbraw/zinc/61/02/64/723610264.db2.gz AEYZCFWMDYGPOH-UHFFFAOYSA-N -1 1 359.227 3.407 20 10 FGCDMM O=C(/C=C\Sc1cc(F)ccc1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000797938323 723887830 /nfs/dbraw/zinc/88/78/30/723887830.db2.gz VLZWVQIXLLTBGX-WAYWQWQTSA-N -1 1 366.341 3.408 20 10 FGCDMM COc1cccc(OC)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115769 725184597 /nfs/dbraw/zinc/18/45/97/725184597.db2.gz RQOHNLZIXRAMDC-UHFFFAOYSA-N -1 1 361.778 3.003 20 10 FGCDMM CCCC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCC1 ZINC000817098725 727221059 /nfs/dbraw/zinc/22/10/59/727221059.db2.gz GOUXBGMITURZHW-UHFFFAOYSA-N -1 1 351.428 3.036 20 10 FGCDMM NC(=O)COc1cccc2c1CCCN2Cc1cc(Cl)cc(F)c1[O-] ZINC000824932080 729365521 /nfs/dbraw/zinc/36/55/21/729365521.db2.gz IXPACEUTKJAKQN-UHFFFAOYSA-N -1 1 364.804 3.002 20 10 FGCDMM CCOC(=O)c1sc(SCC(=O)c2ccc([O-])c(O)c2)nc1C ZINC000829786918 729511842 /nfs/dbraw/zinc/51/18/42/729511842.db2.gz BGAUWHLANPTPSY-UHFFFAOYSA-N -1 1 353.421 3.014 20 10 FGCDMM O=S1(=O)Cc2ccccc2[C@H](NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000857061684 732099496 /nfs/dbraw/zinc/09/94/96/732099496.db2.gz UEJMUZLKXRIYIU-OAHLLOKOSA-N -1 1 372.273 3.458 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000861332539 732665120 /nfs/dbraw/zinc/66/51/20/732665120.db2.gz GEEBDPONLOTLPJ-VNQPRFMTSA-N -1 1 358.235 3.357 20 10 FGCDMM O=C(CCOCC(F)(F)C(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000890759701 739827853 /nfs/dbraw/zinc/82/78/53/739827853.db2.gz PALBZHVSZPMUPB-UHFFFAOYSA-N -1 1 361.694 3.266 20 10 FGCDMM CC(C)(C)C(=O)NC1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759837 739828050 /nfs/dbraw/zinc/82/80/50/739828050.db2.gz RUVJQBSWZVKJPT-UHFFFAOYSA-N -1 1 366.889 3.383 20 10 FGCDMM O=C(Cn1nc(C(F)F)cc1C(F)F)NCc1cccc(Cl)c1[O-] ZINC000890763636 739829073 /nfs/dbraw/zinc/82/90/73/739829073.db2.gz ZGHMHHVOEHMHJH-UHFFFAOYSA-N -1 1 365.714 3.434 20 10 FGCDMM C[C@H](O)C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000893651335 742181245 /nfs/dbraw/zinc/18/12/45/742181245.db2.gz OMAXOEOGUQDMQS-XJKSGUPXSA-N -1 1 362.857 3.400 20 10 FGCDMM C[C@@H](O)C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000893651332 742181276 /nfs/dbraw/zinc/18/12/76/742181276.db2.gz OMAXOEOGUQDMQS-CJNGLKHVSA-N -1 1 362.857 3.400 20 10 FGCDMM COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)s1 ZINC000895359320 742402278 /nfs/dbraw/zinc/40/22/78/742402278.db2.gz QVQLQICPXFUWFX-JTQLQIEISA-N -1 1 368.405 3.293 20 10 FGCDMM CCn1cnc2c1CCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC000897333058 742669723 /nfs/dbraw/zinc/66/97/23/742669723.db2.gz AWNMBBBRSYDKOH-UHFFFAOYSA-N -1 1 350.260 3.238 20 10 FGCDMM O=C([O-])C12CCC(C(=O)NCc3cc(Cl)cc(Cl)c3O)(CC1)C2 ZINC000911744112 757211753 /nfs/dbraw/zinc/21/17/53/757211753.db2.gz KOVQOJXXQOFENC-UHFFFAOYSA-N -1 1 358.221 3.350 20 10 FGCDMM O=C(C=Cc1nc2ccccc2s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594168 758104489 /nfs/dbraw/zinc/10/44/89/758104489.db2.gz WRDVBMNHEWGISI-BQYQJAHWSA-N -1 1 355.371 3.147 20 10 FGCDMM CCn1nc(C)c(NC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000278267682 497057405 /nfs/dbraw/zinc/05/74/05/497057405.db2.gz ZQVGEXJYNXXDNG-UHFFFAOYSA-N -1 1 367.247 3.310 20 10 FGCDMM O=C([O-])C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739793617 600315929 /nfs/dbraw/zinc/31/59/29/600315929.db2.gz IIRWGIVHVWJFAE-UHFFFAOYSA-N -1 1 371.824 3.318 20 10 FGCDMM O=C([O-])C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739793617 600315932 /nfs/dbraw/zinc/31/59/32/600315932.db2.gz IIRWGIVHVWJFAE-UHFFFAOYSA-N -1 1 371.824 3.318 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)[O-])C2)c1[O-] ZINC000823628936 604245639 /nfs/dbraw/zinc/24/56/39/604245639.db2.gz ZSAPUYKJTDIYMQ-JQWIXIFHSA-N -1 1 354.834 3.116 20 10 FGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](NC(=O)[O-])C[C@@H]2C)c1 ZINC000833897401 605912943 /nfs/dbraw/zinc/91/29/43/605912943.db2.gz JYPCNBXGONBEOZ-JQWIXIFHSA-N -1 1 357.248 3.084 20 10 FGCDMM Cc1c(NCc2cccc(Br)c2[O-])cccc1-c1nn[nH]n1 ZINC000826242529 609487145 /nfs/dbraw/zinc/48/71/45/609487145.db2.gz SRDFOBRLRCGVAO-UHFFFAOYSA-N -1 1 360.215 3.255 20 10 FGCDMM COc1ccc(N2CCCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000079180360 700295041 /nfs/dbraw/zinc/29/50/41/700295041.db2.gz QOYMBYBBNONAOC-UHFFFAOYSA-N -1 1 360.841 3.407 20 10 FGCDMM Cc1ccc(Cl)c(O[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000783056128 724719126 /nfs/dbraw/zinc/71/91/26/724719126.db2.gz MHVMNGIPQBOQEW-LLVKDONJSA-N -1 1 364.781 3.253 20 10 FGCDMM Cn1c(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])nc2cc(F)ccc21 ZINC000736358152 722522964 /nfs/dbraw/zinc/52/29/64/722522964.db2.gz UXKVJTYIGWIJQO-UHFFFAOYSA-N -1 1 364.764 3.269 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2cc(C)ccn2)c1[O-] ZINC000750044453 722752901 /nfs/dbraw/zinc/75/29/01/722752901.db2.gz VKPSPMCRDIMFHZ-UHFFFAOYSA-N -1 1 361.829 3.022 20 10 FGCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cc(F)cc(Cl)c1 ZINC000755411848 722953101 /nfs/dbraw/zinc/95/31/01/722953101.db2.gz WJPMUJFPQCBSGP-UHFFFAOYSA-N -1 1 370.833 3.117 20 10 FGCDMM O=C(N[C@@H]1CCc2c1cccc2Br)c1c(F)ccc(O)c1[O-] ZINC000789971106 723089669 /nfs/dbraw/zinc/08/96/69/723089669.db2.gz NQYRQNXQWZFTGE-GFCCVEGCSA-N -1 1 366.186 3.417 20 10 FGCDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702699 723358801 /nfs/dbraw/zinc/35/88/01/723358801.db2.gz DKNKCXSERFFQIQ-UHFFFAOYSA-N -1 1 368.436 3.093 20 10 FGCDMM CN(C)S(=O)(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000793087362 723399145 /nfs/dbraw/zinc/39/91/45/723399145.db2.gz YERLQIXXJLEGMN-UHFFFAOYSA-N -1 1 358.822 3.047 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnn(CC2CC2)c1 ZINC000765296864 723503845 /nfs/dbraw/zinc/50/38/45/723503845.db2.gz GXOHCPWHIUFIGO-UHFFFAOYSA-N -1 1 365.231 3.083 20 10 FGCDMM CC(C)Cn1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765301410 723504065 /nfs/dbraw/zinc/50/40/65/723504065.db2.gz AKALPKJXNBBSOT-UHFFFAOYSA-N -1 1 367.247 3.329 20 10 FGCDMM CCc1ncsc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765315834 723504825 /nfs/dbraw/zinc/50/48/25/723504825.db2.gz BQDJPKYWMQRPPE-UHFFFAOYSA-N -1 1 356.245 3.495 20 10 FGCDMM O=C(NCc1ccc(F)c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765475124 723516019 /nfs/dbraw/zinc/51/60/19/723516019.db2.gz CWUYQQBGENOJOS-UHFFFAOYSA-N -1 1 371.181 3.432 20 10 FGCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000765528380 723521110 /nfs/dbraw/zinc/52/11/10/723521110.db2.gz NYBINDLKAFWOHM-CQSZACIVSA-N -1 1 371.275 3.159 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC(=O)c2ccccc21 ZINC000765730613 723536065 /nfs/dbraw/zinc/53/60/65/723536065.db2.gz DQTTWDCFOKJNGJ-CYBMUJFWSA-N -1 1 360.207 3.141 20 10 FGCDMM C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765751182 723537839 /nfs/dbraw/zinc/53/78/39/723537839.db2.gz QYTODVKCKUYQBB-SNVBAGLBSA-N -1 1 368.202 3.378 20 10 FGCDMM COc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1OC ZINC000765750824 723537858 /nfs/dbraw/zinc/53/78/58/723537858.db2.gz LOWUVQLYTWUYRD-UHFFFAOYSA-N -1 1 366.211 3.102 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(F)(F)F)OC[C@H]2C)c1[O-] ZINC000796307483 723632095 /nfs/dbraw/zinc/63/20/95/723632095.db2.gz LSNPBUCFOOIULT-OQPBUACISA-N -1 1 351.752 3.400 20 10 FGCDMM [O-]c1c(Br)cc(Br)cc1CNCc1cocn1 ZINC000776187785 724117136 /nfs/dbraw/zinc/11/71/36/724117136.db2.gz AAGKEWIBKMFINA-UHFFFAOYSA-N -1 1 362.021 3.195 20 10 FGCDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1N1C(=O)N[C@H](C)C1=O ZINC000809786612 725268747 /nfs/dbraw/zinc/26/87/47/725268747.db2.gz GVIRLCDDHNUKBM-LLVKDONJSA-N -1 1 359.813 3.411 20 10 FGCDMM COCCSc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825732579 729393457 /nfs/dbraw/zinc/39/34/57/729393457.db2.gz YDHCNQRJLREWRO-NSHDSACASA-N -1 1 365.426 3.466 20 10 FGCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C2CCC2)n1 ZINC000840437842 730145836 /nfs/dbraw/zinc/14/58/36/730145836.db2.gz MEIFGXUSQMSMNU-UHFFFAOYSA-N -1 1 364.243 3.086 20 10 FGCDMM O=S(=O)(NC1CC1)c1cc(NCc2cccc(Cl)c2[O-])ccc1F ZINC000845993083 730916746 /nfs/dbraw/zinc/91/67/46/730916746.db2.gz VJNHXKMYQSMUPO-UHFFFAOYSA-N -1 1 370.833 3.238 20 10 FGCDMM CS(=O)(=O)CCOc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000850347519 731345264 /nfs/dbraw/zinc/34/52/64/731345264.db2.gz VRRNRPUDJSJSJU-UHFFFAOYSA-N -1 1 373.833 3.220 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000861332536 732665051 /nfs/dbraw/zinc/66/50/51/732665051.db2.gz GEEBDPONLOTLPJ-NUEKZKHPSA-N -1 1 358.235 3.357 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](OCc3ccccn3)C2)c1[O-] ZINC000877645547 736699596 /nfs/dbraw/zinc/69/95/96/736699596.db2.gz OOZGGDQPOKTRHE-HNNXBMFYSA-N -1 1 363.801 3.140 20 10 FGCDMM CCc1nnc([C@H](C)NCc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000883078407 737519083 /nfs/dbraw/zinc/51/90/83/737519083.db2.gz QDZIGVIDFVMZDM-ZETCQYMHSA-N -1 1 359.655 3.339 20 10 FGCDMM C[C@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2[O-])c2ncnn21 ZINC000883165909 737531572 /nfs/dbraw/zinc/53/15/72/737531572.db2.gz OJIQJBHVUWKRMI-WRWORJQWSA-N -1 1 357.639 3.195 20 10 FGCDMM CSc1nc(C)c(CCC(=O)NCc2cccc(Cl)c2[O-])c(C)n1 ZINC000890757774 739827205 /nfs/dbraw/zinc/82/72/05/739827205.db2.gz LJEJBESFIKPDGQ-UHFFFAOYSA-N -1 1 365.886 3.423 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000890759360 739827796 /nfs/dbraw/zinc/82/77/96/739827796.db2.gz AFYJZQYGRTVOPV-UONOGXRCSA-N -1 1 359.809 3.237 20 10 FGCDMM COC(=O)[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])C[C@H]1c1ccccc1 ZINC000890762409 739828319 /nfs/dbraw/zinc/82/83/19/739828319.db2.gz BPJZALRMGYQDJL-LIRRHRJNSA-N -1 1 359.809 3.009 20 10 FGCDMM O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCc1cccc(Cl)c1[O-] ZINC000890762593 739828431 /nfs/dbraw/zinc/82/84/31/739828431.db2.gz GUCNJQPPBQCYHP-AWEZNQCLSA-N -1 1 353.846 3.028 20 10 FGCDMM CC(C)n1ncc2c1C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])CC2 ZINC000894399427 742278043 /nfs/dbraw/zinc/27/80/43/742278043.db2.gz SBXJRZKTKYIGOH-AWEZNQCLSA-N -1 1 362.861 3.180 20 10 FGCDMM O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1cccc(Cl)c1[O-] ZINC000896649487 742576857 /nfs/dbraw/zinc/57/68/57/742576857.db2.gz JGUZQURMRSQGNB-CMPLNLGQSA-N -1 1 366.767 3.345 20 10 FGCDMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCS1 ZINC000927237697 759924289 /nfs/dbraw/zinc/92/42/89/759924289.db2.gz FJYCTOVEUZLZMJ-KOLCDFICSA-N -1 1 359.289 3.238 20 10 FGCDMM CC(C)c1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000092605398 494684555 /nfs/dbraw/zinc/68/45/55/494684555.db2.gz RNMKDVJHCWKCTC-UHFFFAOYSA-N -1 1 362.451 3.164 20 10 FGCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1C(C)(C)C ZINC000277590780 496822528 /nfs/dbraw/zinc/82/25/28/496822528.db2.gz SLECOGGJPQUGDS-UHFFFAOYSA-N -1 1 366.259 3.345 20 10 FGCDMM Cc1cc(Cl)cc(CN2CCCN(C(=O)c3ccccn3)CC2)c1O ZINC000371425096 499325180 /nfs/dbraw/zinc/32/51/80/499325180.db2.gz QXKUBTJRECLZDB-UHFFFAOYSA-N -1 1 359.857 3.097 20 10 FGCDMM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000755985505 601491825 /nfs/dbraw/zinc/49/18/25/601491825.db2.gz NSPLMEPKFIPBKL-UHFFFAOYSA-N -1 1 367.398 3.462 20 10 FGCDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cc(Br)ccc1[O-] ZINC000834161971 605609483 /nfs/dbraw/zinc/60/94/83/605609483.db2.gz KLCNZMSPHABEFG-AGUYFDCRSA-N -1 1 369.259 3.308 20 10 FGCDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(Br)ccc1[O-] ZINC000834161971 605609486 /nfs/dbraw/zinc/60/94/86/605609486.db2.gz KLCNZMSPHABEFG-AGUYFDCRSA-N -1 1 369.259 3.308 20 10 FGCDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1C ZINC000126120411 700744035 /nfs/dbraw/zinc/74/40/35/700744035.db2.gz HUVBJUSJQJHUQP-UHFFFAOYSA-N -1 1 356.787 3.371 20 10 FGCDMM CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179960586 705722524 /nfs/dbraw/zinc/72/25/24/705722524.db2.gz ZJQNYCITWYYLQC-SNVBAGLBSA-N -1 1 356.806 3.117 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C)c(C)c1O ZINC000187059784 712731727 /nfs/dbraw/zinc/73/17/27/712731727.db2.gz RMCDGTPPNLZBSL-UHFFFAOYSA-N -1 1 368.386 3.474 20 10 FGCDMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000214269706 713566674 /nfs/dbraw/zinc/56/66/74/713566674.db2.gz OQCWKAFDEFFAGO-LZYBPNLTSA-N -1 1 356.403 3.189 20 10 FGCDMM COC(=O)[C@H]1CCCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781920494 724612664 /nfs/dbraw/zinc/61/26/64/724612664.db2.gz LEYMVSMHPSDFNC-CQSZACIVSA-N -1 1 356.260 3.381 20 10 FGCDMM CCOc1cc(C(=O)NCc2cccc(OC)c2O)cc(Cl)c1[O-] ZINC000762622768 723263312 /nfs/dbraw/zinc/26/33/12/723263312.db2.gz PMWQTLJRLDWPEN-UHFFFAOYSA-N -1 1 351.786 3.089 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)F)[C@@H](C)C2)c1[O-] ZINC000762927992 723293329 /nfs/dbraw/zinc/29/33/29/723293329.db2.gz PCTLEHMUQYZAPG-JTQLQIEISA-N -1 1 364.795 3.317 20 10 FGCDMM CCN(Cc1cc(Br)ccc1O)C(=O)c1ncc(C)cc1[O-] ZINC000763249956 723326229 /nfs/dbraw/zinc/32/62/29/723326229.db2.gz DAGDJIHWWIQVTL-UHFFFAOYSA-N -1 1 365.227 3.226 20 10 FGCDMM CC(C)c1cc(CNC(=O)NCc2cccc(Br)c2[O-])on1 ZINC000764784489 723445842 /nfs/dbraw/zinc/44/58/42/723445842.db2.gz OVBJSLPREFYVJJ-UHFFFAOYSA-N -1 1 368.231 3.266 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1Cc2ccc(F)cc21 ZINC000793968325 723479293 /nfs/dbraw/zinc/47/92/93/723479293.db2.gz IOCSBPUEBJKKDD-CYBMUJFWSA-N -1 1 350.187 3.250 20 10 FGCDMM Cn1ncc(NC(=O)NCc2cccc(Br)c2[O-])c1C1CC1 ZINC000765345165 723507384 /nfs/dbraw/zinc/50/73/84/723507384.db2.gz FNCFNPREISYWQX-UHFFFAOYSA-N -1 1 365.231 3.087 20 10 FGCDMM Cc1nc2ccccc2n1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765727482 723535635 /nfs/dbraw/zinc/53/56/35/723535635.db2.gz AYEQRBBNWDJLII-UHFFFAOYSA-N -1 1 374.238 3.129 20 10 FGCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])n1cnc2ccccc21 ZINC000765737230 723536614 /nfs/dbraw/zinc/53/66/14/723536614.db2.gz SFDLLLNFPGHGGL-LLVKDONJSA-N -1 1 374.238 3.382 20 10 FGCDMM C[C@H]1C(=O)CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000765750406 723537924 /nfs/dbraw/zinc/53/79/24/723537924.db2.gz FZPWUVKDROFUJX-JQWIXIFHSA-N -1 1 368.271 3.412 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2cccn2)cc1 ZINC000765752262 723538197 /nfs/dbraw/zinc/53/81/97/723538197.db2.gz WAHPATCDLIGQQT-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM Cc1nc(Cl)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751916 723538265 /nfs/dbraw/zinc/53/82/65/723538265.db2.gz AAXJRIYNAADVAY-UHFFFAOYSA-N -1 1 355.619 3.442 20 10 FGCDMM O=C(Cc1cc(F)c(F)cc1F)NCc1cccc(Br)c1[O-] ZINC000765756245 723538369 /nfs/dbraw/zinc/53/83/69/723538369.db2.gz LPTNLFHBGFIFOL-UHFFFAOYSA-N -1 1 374.156 3.431 20 10 FGCDMM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765771257 723539585 /nfs/dbraw/zinc/53/95/85/723539585.db2.gz XVTYDMGPAJPCMI-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@]2(CCOC2)O1 ZINC000796550007 723643219 /nfs/dbraw/zinc/64/32/19/723643219.db2.gz ALWJLMSPSUUCNZ-MAUKXSAKSA-N -1 1 353.846 3.018 20 10 FGCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000797427924 723816118 /nfs/dbraw/zinc/81/61/18/723816118.db2.gz BKPAANUEZAOFDQ-UHFFFAOYSA-N -1 1 362.190 3.198 20 10 FGCDMM Cc1sc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)cc1[N+](=O)[O-] ZINC000808115444 725184750 /nfs/dbraw/zinc/18/47/50/725184750.db2.gz DNMCHXWWHZCVES-UHFFFAOYSA-N -1 1 366.779 3.264 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2CC(F)F)c1 ZINC000809712156 725261596 /nfs/dbraw/zinc/26/15/96/725261596.db2.gz DFQQJVLJNPMQPG-NSHDSACASA-N -1 1 350.203 3.319 20 10 FGCDMM O=C(NC1CC1)OC[C@H]1CCCCN1Cc1cc(Cl)cc(F)c1[O-] ZINC000811510984 725371257 /nfs/dbraw/zinc/37/12/57/725371257.db2.gz BHZFFRIMOHYZOM-CQSZACIVSA-N -1 1 356.825 3.428 20 10 FGCDMM O=C(COC(=O)c1cccc(F)c1Br)c1ccc([O-])c(O)c1 ZINC000814506526 726976031 /nfs/dbraw/zinc/97/60/31/726976031.db2.gz JXCONYXBCVXZEF-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1N1C(=O)CNC1=O ZINC000816596750 727179131 /nfs/dbraw/zinc/17/91/31/727179131.db2.gz OTRTWCIGZYFHGC-UHFFFAOYSA-N -1 1 363.776 3.161 20 10 FGCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000840828374 730180273 /nfs/dbraw/zinc/18/02/73/730180273.db2.gz QOKVDIMTJVYAFW-ZDUSSCGKSA-N -1 1 371.275 3.115 20 10 FGCDMM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2COC)c1 ZINC000840918437 730191516 /nfs/dbraw/zinc/19/15/16/730191516.db2.gz SWCOZSPTXLOOGA-UHFFFAOYSA-N -1 1 371.842 3.139 20 10 FGCDMM COCCN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@H](O)C(F)(F)F ZINC000848921452 731221036 /nfs/dbraw/zinc/22/10/36/731221036.db2.gz BHQGUIACIMORNE-NSHDSACASA-N -1 1 362.175 3.071 20 10 FGCDMM C[C@]1(CCNC(=O)NCc2cccc(Br)c2[O-])CC1(F)F ZINC000852585763 731605435 /nfs/dbraw/zinc/60/54/35/731605435.db2.gz LAQSBVYBKPNCLJ-ZDUSSCGKSA-N -1 1 363.202 3.389 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3N(C)C(=O)C2)c1[O-] ZINC000857884789 732165834 /nfs/dbraw/zinc/16/58/34/732165834.db2.gz FBMVATWTJHZXLJ-UHFFFAOYSA-N -1 1 358.825 3.227 20 10 FGCDMM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890759899 739827663 /nfs/dbraw/zinc/82/76/63/739827663.db2.gz VITJGNJLPOWGIL-HIFRSBDPSA-N -1 1 361.825 3.483 20 10 FGCDMM Cc1nn(C2CCOCC2)c(C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760848 739828778 /nfs/dbraw/zinc/82/87/78/739828778.db2.gz AYRAYIGSSWBFNU-UHFFFAOYSA-N -1 1 363.845 3.140 20 10 FGCDMM CCCC(=O)NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893994259 742223867 /nfs/dbraw/zinc/22/38/67/742223867.db2.gz CIPNXILJMOZTDR-UHFFFAOYSA-N -1 1 373.266 3.175 20 10 FGCDMM O=C1CCC2=C(CCN(Cc3cc(Cl)cc(Br)c3[O-])C2)N1 ZINC000895224952 742388467 /nfs/dbraw/zinc/38/84/67/742388467.db2.gz NFEIFPODVYCNQH-UHFFFAOYSA-N -1 1 371.662 3.178 20 10 FGCDMM Cn1ncc(C(=O)OC(C)(C)C)c1CNCc1cccc(Cl)c1[O-] ZINC000898215001 742759371 /nfs/dbraw/zinc/75/93/71/742759371.db2.gz IRSOOXSKEYKHTO-UHFFFAOYSA-N -1 1 351.834 3.024 20 10 FGCDMM CC1(C)CCC[C@H](CS(=O)(=O)Nc2cc(F)c([O-])cc2Cl)O1 ZINC000901962225 743686700 /nfs/dbraw/zinc/68/67/00/743686700.db2.gz CYMCAAPFAFPDAM-SECBINFHSA-N -1 1 351.827 3.274 20 10 FGCDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)ccc1Cl ZINC000005555408 210179478 /nfs/dbraw/zinc/17/94/78/210179478.db2.gz XNFVDTWIVFKYRR-UHFFFAOYSA-N -1 1 363.178 3.408 20 10 FGCDMM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093711991 494913664 /nfs/dbraw/zinc/91/36/64/494913664.db2.gz GSQLBPNINXEGCL-DEOSSOPVSA-N -1 1 368.842 3.323 20 10 FGCDMM CCc1nn(C)c(OC)c1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000185867056 495756872 /nfs/dbraw/zinc/75/68/72/495756872.db2.gz AWCTZMOSDPDMNM-SNVBAGLBSA-N -1 1 368.275 3.310 20 10 FGCDMM COc1c([O-])c(CN[C@@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000278524580 497142745 /nfs/dbraw/zinc/14/27/45/497142745.db2.gz SXNHPMBHXSYGQM-CYBMUJFWSA-N -1 1 362.386 3.056 20 10 FGCDMM O=[N+]([O-])c1ccc([O-])c(CN[C@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280394695 497740841 /nfs/dbraw/zinc/74/08/41/497740841.db2.gz XFKKVVVDYUCRHQ-CYBMUJFWSA-N -1 1 372.299 3.022 20 10 FGCDMM CCc1ccc([C@H]2COCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000373205286 499457383 /nfs/dbraw/zinc/45/73/83/499457383.db2.gz QOCOBRDDTGCFNY-OAHLLOKOSA-N -1 1 362.382 3.038 20 10 FGCDMM COc1ccc(N(Cc2ccccc2)Cc2ccnc(-c3nnn[n-]3)c2)cc1 ZINC000826209024 607517467 /nfs/dbraw/zinc/51/74/67/607517467.db2.gz JXTDJSFIYDHHND-UHFFFAOYSA-N -1 1 372.432 3.477 20 10 FGCDMM COc1ccc(N(Cc2ccccc2)Cc2ccnc(-c3nn[n-]n3)c2)cc1 ZINC000826209024 607517468 /nfs/dbraw/zinc/51/74/68/607517468.db2.gz JXTDJSFIYDHHND-UHFFFAOYSA-N -1 1 372.432 3.477 20 10 FGCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)sc1Br ZINC000126307435 700746563 /nfs/dbraw/zinc/74/65/63/700746563.db2.gz ZCSZWEFPFAPKKY-UHFFFAOYSA-N -1 1 366.233 3.465 20 10 FGCDMM CCCNC(=O)[C@@H]1CN(Cc2cccc(Cl)c2[O-])c2ccccc2O1 ZINC000194730051 713532120 /nfs/dbraw/zinc/53/21/20/713532120.db2.gz KVUBFDAGJCHHDW-KRWDZBQOSA-N -1 1 360.841 3.339 20 10 FGCDMM C[N@@H+](Cc1cn2c(n1)CCCC2)Cc1cc(Br)ccc1O ZINC000373883821 713879918 /nfs/dbraw/zinc/87/99/18/713879918.db2.gz VTUXJRLBEXBADB-UHFFFAOYSA-N -1 1 350.260 3.320 20 10 FGCDMM [O-]c1c(Br)cccc1CN1CCN2CCOc3cccc1c32 ZINC000780781114 724500201 /nfs/dbraw/zinc/50/02/01/724500201.db2.gz HKWLRMWYLRMBCW-UHFFFAOYSA-N -1 1 361.239 3.374 20 10 FGCDMM O=C(CCCOc1ccccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783304236 724746330 /nfs/dbraw/zinc/74/63/30/724746330.db2.gz GKNLHLRHQVJNPK-UHFFFAOYSA-N -1 1 364.781 3.336 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000750045698 722752909 /nfs/dbraw/zinc/75/29/09/722752909.db2.gz VMHHUIRRJBGRSN-GXTWGEPZSA-N -1 1 351.752 3.136 20 10 FGCDMM C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000756379763 722963592 /nfs/dbraw/zinc/96/35/92/722963592.db2.gz BMRJFMFNVASODH-LKFCYVNXSA-N -1 1 367.218 3.171 20 10 FGCDMM O=C(NCc1cc(F)cc(Br)c1)c1c([O-])c(O)ccc1F ZINC000789957936 723088351 /nfs/dbraw/zinc/08/83/51/723088351.db2.gz GXHFHRIGTMIBGO-UHFFFAOYSA-N -1 1 358.138 3.069 20 10 FGCDMM C[C@H](Cc1ccccc1Br)NC(=O)c1c([O-])c(O)ccc1F ZINC000789990763 723091956 /nfs/dbraw/zinc/09/19/56/723091956.db2.gz VTKPOPXRMONTGB-SECBINFHSA-N -1 1 368.202 3.360 20 10 FGCDMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1 ZINC000790416095 723137779 /nfs/dbraw/zinc/13/77/79/723137779.db2.gz PNIDDSSEIDNOHW-UHFFFAOYSA-N -1 1 367.398 3.071 20 10 FGCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000762000300 723205308 /nfs/dbraw/zinc/20/53/08/723205308.db2.gz NQUYUJHYSVWXCJ-GFCCVEGCSA-N -1 1 363.435 3.304 20 10 FGCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)ccc1C ZINC000792702320 723358334 /nfs/dbraw/zinc/35/83/34/723358334.db2.gz QNEZABFMBKHIIE-UHFFFAOYSA-N -1 1 367.448 3.010 20 10 FGCDMM CS[C@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764790208 723446271 /nfs/dbraw/zinc/44/62/71/723446271.db2.gz IELQGKGCDYRIOM-QWRGUYRKSA-N -1 1 359.289 3.238 20 10 FGCDMM Cc1nc(CNC(=O)NCc2cccc(Br)c2[O-])sc1C ZINC000764792933 723447018 /nfs/dbraw/zinc/44/70/18/723447018.db2.gz ZZUGKXDHMANZCL-UHFFFAOYSA-N -1 1 370.272 3.227 20 10 FGCDMM COc1ccc(NC(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC000765315763 723504854 /nfs/dbraw/zinc/50/48/54/723504854.db2.gz QFXWESDPCGEJDZ-UHFFFAOYSA-N -1 1 366.215 3.188 20 10 FGCDMM C[C@H](COc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765730424 723535940 /nfs/dbraw/zinc/53/59/40/723535940.db2.gz VEKUFPQKQADBLJ-GFCCVEGCSA-N -1 1 364.239 3.486 20 10 FGCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1OC ZINC000765746532 723537411 /nfs/dbraw/zinc/53/74/11/723537411.db2.gz HMPOUZHJVFGBAG-UHFFFAOYSA-N -1 1 366.211 3.102 20 10 FGCDMM CN(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000765758439 723538709 /nfs/dbraw/zinc/53/87/09/723538709.db2.gz WIZHOWMREQVHEU-UHFFFAOYSA-N -1 1 367.218 3.290 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](O)c1ccccc1Cl ZINC000765765134 723539097 /nfs/dbraw/zinc/53/90/97/723539097.db2.gz NZLMAZNMRAKVNE-CQSZACIVSA-N -1 1 370.630 3.158 20 10 FGCDMM Cc1ccc(OCC(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765765207 723539244 /nfs/dbraw/zinc/53/92/44/723539244.db2.gz PSRPTVXPFZVSDV-UHFFFAOYSA-N -1 1 364.239 3.467 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000794687046 723540791 /nfs/dbraw/zinc/54/07/91/723540791.db2.gz FDDLJFIJUUQMGR-VZUCSPMQSA-N -1 1 355.366 3.380 20 10 FGCDMM Cc1ccc(C)c(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766207913 723561380 /nfs/dbraw/zinc/56/13/80/723561380.db2.gz STVKZYDJBDMSOS-UHFFFAOYSA-N -1 1 370.268 3.250 20 10 FGCDMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769498228 723687332 /nfs/dbraw/zinc/68/73/32/723687332.db2.gz SFWHZCXAQPQWLW-CABCVRRESA-N -1 1 369.849 3.175 20 10 FGCDMM COc1c([O-])c(CN2CCC(C)=C(Br)C2)ccc1[N+](=O)[O-] ZINC000797605715 723841485 /nfs/dbraw/zinc/84/14/85/723841485.db2.gz VNUUCPJIXXDWCI-UHFFFAOYSA-N -1 1 357.204 3.184 20 10 FGCDMM C[C@@H](N[C@H](C)c1cc(Br)cc(Cl)c1[O-])c1ncnn1C ZINC000788980875 725100671 /nfs/dbraw/zinc/10/06/71/725100671.db2.gz AQLSPKPIUXSHFK-HTQZYQBOSA-N -1 1 359.655 3.348 20 10 FGCDMM NC(=O)Nc1cc(NCc2cccc(Br)c2[O-])ccc1F ZINC000814300178 726954588 /nfs/dbraw/zinc/95/45/88/726954588.db2.gz IYCXQLSVDLBQMI-UHFFFAOYSA-N -1 1 354.179 3.397 20 10 FGCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1-n1nnnc1C ZINC000816525659 727171911 /nfs/dbraw/zinc/17/19/11/727171911.db2.gz CZMGMZIJHNSMLI-UHFFFAOYSA-N -1 1 363.780 3.090 20 10 FGCDMM CCn1nc(C)c(CN[C@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000818345356 727308629 /nfs/dbraw/zinc/30/86/29/727308629.db2.gz LPENFJWXKCOSBD-MRVPVSSYSA-N -1 1 357.227 3.064 20 10 FGCDMM CO[C@@](C)([C@@H](C)NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000840424701 730144326 /nfs/dbraw/zinc/14/43/26/730144326.db2.gz QYUBNGIHPUFWFE-HWPZZCPQSA-N -1 1 371.275 3.158 20 10 FGCDMM CCn1cc(CN[C@H](C)c2cc(Br)cc(Cl)c2[O-])nn1 ZINC000850522484 731369060 /nfs/dbraw/zinc/36/90/60/731369060.db2.gz REZUDHUEXDIMND-MRVPVSSYSA-N -1 1 359.655 3.270 20 10 FGCDMM COCCCn1cc(C)c(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000883133226 737527686 /nfs/dbraw/zinc/52/76/86/737527686.db2.gz SOTJBHZSBMPMOM-UHFFFAOYSA-N -1 1 372.238 3.447 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1ccn(C2CCOCC2)n1 ZINC000883175158 737531649 /nfs/dbraw/zinc/53/16/49/737531649.db2.gz ADQLBKQYESXMOH-UHFFFAOYSA-N -1 1 370.222 3.454 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000895196123 742386430 /nfs/dbraw/zinc/38/64/30/742386430.db2.gz JAGFMBZLUBDQRW-GDBMZVCRSA-N -1 1 361.829 3.160 20 10 FGCDMM Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCc1cccc(Cl)c1[O-] ZINC000897391950 742674920 /nfs/dbraw/zinc/67/49/20/742674920.db2.gz GVCPPBHBKLVXHP-UHFFFAOYSA-N -1 1 350.684 3.318 20 10 FGCDMM Cc1nc(C)c(CC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000897576687 742691379 /nfs/dbraw/zinc/69/13/79/742691379.db2.gz MEAMQNNKUXTVRF-UHFFFAOYSA-N -1 1 355.257 3.087 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCOC12CCCC2 ZINC000898758688 742829358 /nfs/dbraw/zinc/82/93/58/742829358.db2.gz CMTVEZJTKPRVLX-CYBMUJFWSA-N -1 1 369.259 3.056 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000931865471 760986166 /nfs/dbraw/zinc/98/61/66/760986166.db2.gz JIZNHAISMDYLDK-CMPLNLGQSA-N -1 1 366.767 3.345 20 10 FGCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1CC(C)C ZINC000277587557 496820971 /nfs/dbraw/zinc/82/09/71/496820971.db2.gz SCERUSAMRYWYSH-UHFFFAOYSA-N -1 1 366.259 3.246 20 10 FGCDMM CCOc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(Cl)c1[O-] ZINC000274972014 497209354 /nfs/dbraw/zinc/20/93/54/497209354.db2.gz WBIMMTWHVWQUGL-SNVBAGLBSA-N -1 1 365.813 3.217 20 10 FGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000276612382 497612420 /nfs/dbraw/zinc/61/24/20/497612420.db2.gz PSCLGBCEODXVAJ-SNVBAGLBSA-N -1 1 358.369 3.076 20 10 FGCDMM CS(=O)(=O)CCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294159046 498605763 /nfs/dbraw/zinc/60/57/63/498605763.db2.gz ILKLOPLKDUELSL-UHFFFAOYSA-N -1 1 357.834 3.384 20 10 FGCDMM CS(=O)(=O)CCOc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000294480491 498705397 /nfs/dbraw/zinc/70/53/97/498705397.db2.gz ZZUGHVRJONSTRX-UHFFFAOYSA-N -1 1 373.833 3.220 20 10 FGCDMM [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000295432052 499016065 /nfs/dbraw/zinc/01/60/65/499016065.db2.gz TWAVTRYQJVVDPO-LLVKDONJSA-N -1 1 350.825 3.102 20 10 FGCDMM O=C([N-]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C(F)(F)F ZINC000368858680 499340580 /nfs/dbraw/zinc/34/05/80/499340580.db2.gz BTBFXOXRDOIGCC-VIFPVBQESA-N -1 1 356.266 3.090 20 10 FGCDMM [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375414129 499515830 /nfs/dbraw/zinc/51/58/30/499515830.db2.gz LLMYHWCHYJZORJ-LLVKDONJSA-N -1 1 364.243 3.405 20 10 FGCDMM COc1cc(Cl)cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000377622674 499711878 /nfs/dbraw/zinc/71/18/78/499711878.db2.gz HDJOSAFJHJANTR-AWEZNQCLSA-N -1 1 353.768 3.334 20 10 FGCDMM CC(C)(C)CCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000809840375 725272393 /nfs/dbraw/zinc/27/23/93/725272393.db2.gz VJYQRPWTUZJDDA-UHFFFAOYSA-N -1 1 364.305 3.400 20 10 FGCDMM COC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CCCCC1 ZINC000755127731 722950487 /nfs/dbraw/zinc/95/04/87/722950487.db2.gz ZXSGGVVWMLDQTF-MRXNPFEDSA-N -1 1 353.846 3.460 20 10 FGCDMM O=C(NCc1cc(Cl)ccc1OC(F)F)c1c(F)ccc(O)c1[O-] ZINC000789990242 723091679 /nfs/dbraw/zinc/09/16/79/723091679.db2.gz LSOLSWVNNPXMOX-UHFFFAOYSA-N -1 1 361.703 3.422 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cncc(F)c3)CC2)c1[O-] ZINC000761047480 723116193 /nfs/dbraw/zinc/11/61/93/723116193.db2.gz ZQKTZPUJPJQSLK-UHFFFAOYSA-N -1 1 363.820 3.105 20 10 FGCDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OCC)cc1 ZINC000790409983 723136694 /nfs/dbraw/zinc/13/66/94/723136694.db2.gz YAPKLIDTOSQLIW-UHFFFAOYSA-N -1 1 351.424 3.381 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC1(Cl)Cl ZINC000764763356 723443441 /nfs/dbraw/zinc/44/34/41/723443441.db2.gz KQUDTDNQXVBLEM-QMMMGPOBSA-N -1 1 368.058 3.148 20 10 FGCDMM CC1(C)C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C(C)(C)O1 ZINC000764804339 723448115 /nfs/dbraw/zinc/44/81/15/723448115.db2.gz FIANJJYENGADBI-LBPRGKRZSA-N -1 1 371.275 3.300 20 10 FGCDMM O=C(NC1CC1)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764934851 723460938 /nfs/dbraw/zinc/46/09/38/723460938.db2.gz ODVKQISYJHNYGM-UHFFFAOYSA-N -1 1 362.227 3.054 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nnc(C2CC2)s1 ZINC000765218225 723495125 /nfs/dbraw/zinc/49/51/25/723495125.db2.gz ORHFDMIXSIGIEE-UHFFFAOYSA-N -1 1 369.244 3.205 20 10 FGCDMM Cn1nc(C(C)(C)C)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765726327 723535500 /nfs/dbraw/zinc/53/55/00/723535500.db2.gz FVORTMWGTROYSP-UHFFFAOYSA-N -1 1 366.259 3.116 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2cccc2)nc1 ZINC000765730307 723535830 /nfs/dbraw/zinc/53/58/30/723535830.db2.gz SGSAXUXAYOQARW-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM C[C@@H](Oc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765748035 723537588 /nfs/dbraw/zinc/53/75/88/723537588.db2.gz UFKMHNHZFSHZHA-LLVKDONJSA-N -1 1 350.212 3.238 20 10 FGCDMM O=C(CCc1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765757658 723538508 /nfs/dbraw/zinc/53/85/08/723538508.db2.gz SJQMYGAALWRGKB-UHFFFAOYSA-N -1 1 350.212 3.109 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1F ZINC000765767274 723539447 /nfs/dbraw/zinc/53/94/47/723539447.db2.gz ZKXZQRIMLJRTLL-UHFFFAOYSA-N -1 1 369.146 3.132 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])C1=Cc2ccccc2OC1 ZINC000765770898 723539603 /nfs/dbraw/zinc/53/96/03/723539603.db2.gz SABGFCAYQYLPLT-UHFFFAOYSA-N -1 1 360.207 3.247 20 10 FGCDMM COCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266350 723652298 /nfs/dbraw/zinc/65/22/98/723652298.db2.gz QFMWTRWWWOLMMF-MRXNPFEDSA-N -1 1 350.777 3.398 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2Br)ccc1O ZINC000797820326 723866844 /nfs/dbraw/zinc/86/68/44/723866844.db2.gz RMBDRARBXZTSDW-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM CC[C@H](CO)NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000798085265 723903289 /nfs/dbraw/zinc/90/32/89/723903289.db2.gz NEQIXSMQNJFEQW-GFCCVEGCSA-N -1 1 366.820 3.298 20 10 FGCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000775286166 723975675 /nfs/dbraw/zinc/97/56/75/723975675.db2.gz FKFLKBYQEFVQQO-BQYQJAHWSA-N -1 1 367.810 3.245 20 10 FGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnn(-c2ccccc2)c1 ZINC000808114427 725184399 /nfs/dbraw/zinc/18/43/99/725184399.db2.gz XTPJWQITAUOXGR-UHFFFAOYSA-N -1 1 367.789 3.171 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2nncn2C(C)C)c1 ZINC000814178734 726945464 /nfs/dbraw/zinc/94/54/64/726945464.db2.gz BJESFFHIYIYCDP-UHFFFAOYSA-N -1 1 353.264 3.268 20 10 FGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824636102 729352123 /nfs/dbraw/zinc/35/21/23/729352123.db2.gz LUTZRTJEJIWGCY-MAUKXSAKSA-N -1 1 353.796 3.485 20 10 FGCDMM CS(=O)(=O)CCOc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000826861876 729417269 /nfs/dbraw/zinc/41/72/69/729417269.db2.gz MDOFKFPJXQIYBZ-UHFFFAOYSA-N -1 1 355.843 3.081 20 10 FGCDMM COc1cccc(OC)c1CNCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000850356572 731347623 /nfs/dbraw/zinc/34/76/23/731347623.db2.gz WZUVSWGKCWOXCR-UHFFFAOYSA-N -1 1 352.774 3.261 20 10 FGCDMM [O-]c1c(CN[C@H](CO)c2ccccc2OC(F)(F)F)ccc(F)c1F ZINC000877491887 736671838 /nfs/dbraw/zinc/67/18/38/736671838.db2.gz QJCSUQHXXARLMY-GFCCVEGCSA-N -1 1 363.282 3.392 20 10 FGCDMM CC(C)n1cc(C(C)(C)NCc2cc(Br)cc(F)c2[O-])nn1 ZINC000883147715 737529629 /nfs/dbraw/zinc/52/96/29/737529629.db2.gz FOACIVGNTUPQNW-UHFFFAOYSA-N -1 1 371.254 3.491 20 10 FGCDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000890759055 739827706 /nfs/dbraw/zinc/82/77/06/739827706.db2.gz AWFZVCMEVHKIPM-NSHDSACASA-N -1 1 368.861 3.165 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCOC2(CCSCC2)C1 ZINC000893763716 742195639 /nfs/dbraw/zinc/19/56/39/742195639.db2.gz WVMFIHWBVKTOII-CYBMUJFWSA-N -1 1 370.902 3.290 20 10 FGCDMM CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901963637 743687197 /nfs/dbraw/zinc/68/71/97/743687197.db2.gz XJOMLLYCMRJZQY-GFCCVEGCSA-N -1 1 373.833 3.184 20 10 FGCDMM CCc1onc(C)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000927833284 760050550 /nfs/dbraw/zinc/05/05/50/760050550.db2.gz AGUZREUUCSABNU-UHFFFAOYSA-N -1 1 368.231 3.013 20 10 FGCDMM C[C@@H]1CCC[C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)C1 ZINC000273996737 496986074 /nfs/dbraw/zinc/98/60/74/496986074.db2.gz UGNMAQRNPVJVNX-GHMZBOCLSA-N -1 1 351.428 3.107 20 10 FGCDMM C[C@H]1CCC[C@@H](c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)C1 ZINC000273996749 496986132 /nfs/dbraw/zinc/98/61/32/496986132.db2.gz UGNMAQRNPVJVNX-WDEREUQCSA-N -1 1 351.428 3.107 20 10 FGCDMM CCc1nc(C)c(CNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000293667045 498447205 /nfs/dbraw/zinc/44/72/05/498447205.db2.gz MINRVTQHUSNELE-UHFFFAOYSA-N -1 1 368.231 3.013 20 10 FGCDMM O=S1(=O)CCCN1c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000294362060 498671061 /nfs/dbraw/zinc/67/10/61/498671061.db2.gz TXHOEMKFGHREES-UHFFFAOYSA-N -1 1 370.833 3.337 20 10 FGCDMM COCCn1cc2c(n1)[C@H](NCc1cc(Cl)cc(OC)c1O)CCC2 ZINC000376614348 499623197 /nfs/dbraw/zinc/62/31/97/499623197.db2.gz GLLMNLXFGWNHFX-OAHLLOKOSA-N -1 1 365.861 3.064 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000530273548 503903101 /nfs/dbraw/zinc/90/31/01/503903101.db2.gz JGSOOKHQOJFSKW-HXUWFJFHSA-N -1 1 357.381 3.237 20 10 FGCDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000534289454 504097769 /nfs/dbraw/zinc/09/77/69/504097769.db2.gz YOAINJZJRJJVHI-UHFFFAOYSA-N -1 1 366.443 3.452 20 10 FGCDMM CN(C)c1ccc(CNc2cc(-c3nnn[n-]3)nc3ccccc32)cc1F ZINC000821589192 599503368 /nfs/dbraw/zinc/50/33/68/599503368.db2.gz BDWXJGBVHKMGHJ-UHFFFAOYSA-N -1 1 363.400 3.232 20 10 FGCDMM CN(C)c1ccc(CNc2cc(-c3nn[n-]n3)nc3ccccc32)cc1F ZINC000821589192 599503370 /nfs/dbraw/zinc/50/33/70/599503370.db2.gz BDWXJGBVHKMGHJ-UHFFFAOYSA-N -1 1 363.400 3.232 20 10 FGCDMM CN(C[C@@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1)C(=O)[O-] ZINC000739665606 602524776 /nfs/dbraw/zinc/52/47/76/602524776.db2.gz NOXFPEKAEQZKLL-ZDUSSCGKSA-N -1 1 358.438 3.449 20 10 FGCDMM CN(C[C@@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1)C(=O)[O-] ZINC000739665606 602524777 /nfs/dbraw/zinc/52/47/77/602524777.db2.gz NOXFPEKAEQZKLL-ZDUSSCGKSA-N -1 1 358.438 3.449 20 10 FGCDMM O=C([O-])N(CC1CC1)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000831825531 603495174 /nfs/dbraw/zinc/49/51/74/603495174.db2.gz ADARSONXAUKDCX-UHFFFAOYSA-N -1 1 355.438 3.295 20 10 FGCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000833420211 605549098 /nfs/dbraw/zinc/54/90/98/605549098.db2.gz OPFCRHGGQNMQCA-GFCCVEGCSA-N -1 1 356.260 3.478 20 10 FGCDMM Cc1cc(Br)c([O-])c(C[N@H+](C)C2CCC(NC(=O)[O-])CC2)c1 ZINC000833897651 605912919 /nfs/dbraw/zinc/91/29/19/605912919.db2.gz MXSVFQHUVODPQS-UHFFFAOYSA-N -1 1 371.275 3.474 20 10 FGCDMM Cc1ccccc1-c1nnc(SCC(=O)c2ccc([O-])c(O)c2)n1C ZINC000005859688 695552076 /nfs/dbraw/zinc/55/20/76/695552076.db2.gz ABORESJJIFFMMD-UHFFFAOYSA-N -1 1 355.419 3.177 20 10 FGCDMM O=C([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1O ZINC000013464108 695610658 /nfs/dbraw/zinc/61/06/58/695610658.db2.gz WWJPODUWNFDQJI-UHFFFAOYSA-N -1 1 362.190 3.198 20 10 FGCDMM O=C(Cc1ccc(C(F)(F)F)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782219686 724639700 /nfs/dbraw/zinc/63/97/00/724639700.db2.gz GLBSYVRFRIFRSX-UHFFFAOYSA-N -1 1 354.280 3.085 20 10 FGCDMM Cc1ccc(Br)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783862374 724797843 /nfs/dbraw/zinc/79/78/43/724797843.db2.gz BBBKRHSWYUIUMC-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM C[C@H](NCc1nnc2n1CCCC2)c1cc(Br)c(F)cc1[O-] ZINC000760866977 723099762 /nfs/dbraw/zinc/09/97/62/723099762.db2.gz BKNNCMYILHPTKL-VIFPVBQESA-N -1 1 369.238 3.072 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000790410892 723136704 /nfs/dbraw/zinc/13/67/04/723136704.db2.gz FESXDDUGYHARQO-UHFFFAOYSA-N -1 1 351.424 3.217 20 10 FGCDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000792701795 723358399 /nfs/dbraw/zinc/35/83/99/723358399.db2.gz ADKJDZDLXYBVDW-UHFFFAOYSA-N -1 1 367.448 3.010 20 10 FGCDMM COC(=O)c1nc(NCc2cccc(Br)c2[O-])sc1C ZINC000764934024 723460856 /nfs/dbraw/zinc/46/08/56/723460856.db2.gz HPZNWGBDUGNREH-UHFFFAOYSA-N -1 1 357.229 3.318 20 10 FGCDMM CC(C)c1nnc2c(NCc3cccc(Br)c3[O-])nccn21 ZINC000764934836 723460906 /nfs/dbraw/zinc/46/09/06/723460906.db2.gz NQELBXZLBLZNTA-UHFFFAOYSA-N -1 1 362.231 3.328 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ncncc1Br ZINC000764935571 723461332 /nfs/dbraw/zinc/46/13/32/723461332.db2.gz XNUGGGFVVWAECY-UHFFFAOYSA-N -1 1 359.021 3.319 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2ccnc2)cc1 ZINC000765726018 723535478 /nfs/dbraw/zinc/53/54/78/723535478.db2.gz CDQOUSNQAOZZKJ-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM Cc1nc(CCC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765731203 723535979 /nfs/dbraw/zinc/53/59/79/723535979.db2.gz ZGPYMMJVQDOLFR-UHFFFAOYSA-N -1 1 355.257 3.169 20 10 FGCDMM O=C(CSC[C@@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000765731939 723536047 /nfs/dbraw/zinc/53/60/47/723536047.db2.gz NBGJZOUZXHKOEN-LBPRGKRZSA-N -1 1 374.300 3.073 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCOc2ccccc21 ZINC000765746077 723537340 /nfs/dbraw/zinc/53/73/40/723537340.db2.gz CXVSZPVRLZKRQP-CYBMUJFWSA-N -1 1 362.223 3.337 20 10 FGCDMM C[C@H](Oc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765748036 723537512 /nfs/dbraw/zinc/53/75/12/723537512.db2.gz UFKMHNHZFSHZHA-NSHDSACASA-N -1 1 350.212 3.238 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccco2)n[nH]1 ZINC000765753600 723538236 /nfs/dbraw/zinc/53/82/36/723538236.db2.gz OGTNYTCFECGYGP-UHFFFAOYSA-N -1 1 362.183 3.068 20 10 FGCDMM CC(C)(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])no1 ZINC000765755170 723538441 /nfs/dbraw/zinc/53/84/41/723538441.db2.gz HQWYRSSZPBLTRQ-UHFFFAOYSA-N -1 1 353.216 3.370 20 10 FGCDMM COc1cc(C)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765770385 723539672 /nfs/dbraw/zinc/53/96/72/723539672.db2.gz PRCZPYMGFKGVHV-UHFFFAOYSA-N -1 1 350.212 3.402 20 10 FGCDMM Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1Br ZINC000768891949 723671435 /nfs/dbraw/zinc/67/14/35/723671435.db2.gz OOOHOAKXRNNMSG-UHFFFAOYSA-N -1 1 368.212 3.095 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000775145058 723963593 /nfs/dbraw/zinc/96/35/93/723963593.db2.gz HOQHEJWIZFAAPI-OQPBUACISA-N -1 1 368.739 3.089 20 10 FGCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C\c1ccccc1Cl ZINC000775287043 723976230 /nfs/dbraw/zinc/97/62/30/723976230.db2.gz HFALAWMEGZFBMM-HJWRWDBZSA-N -1 1 367.810 3.245 20 10 FGCDMM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786341099 724974012 /nfs/dbraw/zinc/97/40/12/724974012.db2.gz CJHSISHKFGUTBD-YEWDVWPNSA-N -1 1 350.411 3.198 20 10 FGCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000788490292 725067491 /nfs/dbraw/zinc/06/74/91/725067491.db2.gz ZQGKFFCSHMWEEI-UHFFFAOYSA-N -1 1 350.440 3.046 20 10 FGCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1Cl ZINC000788492869 725067829 /nfs/dbraw/zinc/06/78/29/725067829.db2.gz MAVRGFJVMLYLEZ-UHFFFAOYSA-N -1 1 369.826 3.366 20 10 FGCDMM Cc1nc(Cl)c(Cl)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000805720679 725089353 /nfs/dbraw/zinc/08/93/53/725089353.db2.gz GADRWNOPDMBKOB-UHFFFAOYSA-N -1 1 356.161 3.148 20 10 FGCDMM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115602 725184780 /nfs/dbraw/zinc/18/47/80/725184780.db2.gz KRNRLDNLCIPERP-UHFFFAOYSA-N -1 1 373.789 3.246 20 10 FGCDMM C[C@H]1CN(Cc2cccc(Br)c2[O-])c2ccccc2C(=O)N1 ZINC000811509330 725370998 /nfs/dbraw/zinc/37/09/98/725370998.db2.gz PBIJOJPHVLJNOC-NSHDSACASA-N -1 1 361.239 3.293 20 10 FGCDMM COc1c([O-])c(CNCC(F)(F)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000827611968 729432395 /nfs/dbraw/zinc/43/23/95/729432395.db2.gz AWVYSINCCUTQKZ-UHFFFAOYSA-N -1 1 356.300 3.330 20 10 FGCDMM CO[C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCCC1 ZINC000834475846 729806615 /nfs/dbraw/zinc/80/66/15/729806615.db2.gz FZXLQMDHMVUYLJ-OAHLLOKOSA-N -1 1 356.260 3.366 20 10 FGCDMM Cc1csc([C@H](C)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000834476423 729806633 /nfs/dbraw/zinc/80/66/33/729806633.db2.gz YKNMZOYVNBCJCZ-SECBINFHSA-N -1 1 355.257 3.340 20 10 FGCDMM CC(C)(C)OC(=O)C(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000843865994 730661914 /nfs/dbraw/zinc/66/19/14/730661914.db2.gz BQEXBVQJGOOVOE-UHFFFAOYSA-N -1 1 372.259 3.139 20 10 FGCDMM C[C@H](O)[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1F ZINC000846017911 730919091 /nfs/dbraw/zinc/91/90/91/730919091.db2.gz RGAHJAZUIVMCNM-VFZGTOFNSA-N -1 1 354.765 3.305 20 10 FGCDMM O=C(COC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1ccc([O-])c(O)c1 ZINC000860279027 732487935 /nfs/dbraw/zinc/48/79/35/732487935.db2.gz UIHKXFVHHNWPLL-JEBQAFNWSA-N -1 1 358.777 3.063 20 10 FGCDMM CCS(=O)(=O)Nc1ccc(NCc2cc(F)cc(F)c2[O-])cc1OC ZINC000883056774 737516659 /nfs/dbraw/zinc/51/66/59/737516659.db2.gz VRNDFMMHJLRSPR-UHFFFAOYSA-N -1 1 372.393 3.053 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(C2(O)COC2)cc1 ZINC000883120649 737526367 /nfs/dbraw/zinc/52/63/67/737526367.db2.gz JXBLDXAZUAILAE-UHFFFAOYSA-N -1 1 368.202 3.124 20 10 FGCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000883887757 737612397 /nfs/dbraw/zinc/61/23/97/737612397.db2.gz STRFVQGFADJZEN-TZMCWYRMSA-N -1 1 371.275 3.159 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCC2(CCC2)O1 ZINC000890083534 739753775 /nfs/dbraw/zinc/75/37/75/739753775.db2.gz VUTUZIIAASUJMR-LBPRGKRZSA-N -1 1 369.259 3.056 20 10 FGCDMM CO[C@H](C)c1nc(CNC(=O)NCc2cccc(Cl)c2[O-])cs1 ZINC000893519895 742165501 /nfs/dbraw/zinc/16/55/01/742165501.db2.gz ODWCSLVJHAMCIM-SECBINFHSA-N -1 1 355.847 3.209 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896659845 742578620 /nfs/dbraw/zinc/57/86/20/742578620.db2.gz HRLVMDLADBLEAY-ZYHUDNBSSA-N -1 1 366.767 3.345 20 10 FGCDMM O=C(C[C@H]1CSCCS1)NCc1cccc(Br)c1[O-] ZINC000277404418 496762482 /nfs/dbraw/zinc/76/24/82/496762482.db2.gz BNIQRPGBBKTLLL-JTQLQIEISA-N -1 1 362.314 3.010 20 10 FGCDMM CC[C@@H](C)c1nc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000277514011 496799148 /nfs/dbraw/zinc/79/91/48/496799148.db2.gz WSHBVLVQDRPRJR-BDAKNGLRSA-N -1 1 353.810 3.436 20 10 FGCDMM CCc1noc(C)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000297855352 498588569 /nfs/dbraw/zinc/58/85/69/498588569.db2.gz TXSOLOXFORGEBV-UHFFFAOYSA-N -1 1 368.231 3.013 20 10 FGCDMM COCC1(CCNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000297924937 498612641 /nfs/dbraw/zinc/61/26/41/498612641.db2.gz ZMAPQNDQMJTWPG-UHFFFAOYSA-N -1 1 371.275 3.161 20 10 FGCDMM COc1ccc(CS(C)(=O)=O)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000294567035 498732578 /nfs/dbraw/zinc/73/25/78/498732578.db2.gz GFERLRBYXGZYCN-UHFFFAOYSA-N -1 1 373.833 3.350 20 10 FGCDMM Fc1ccc2c(C3=CCN(c4cccc(-c5nnn[n-]5)n4)CC3)c[nH]c2c1 ZINC000737656068 599412621 /nfs/dbraw/zinc/41/26/21/599412621.db2.gz HKUXIOZXJPDXJC-UHFFFAOYSA-N -1 1 361.384 3.176 20 10 FGCDMM Fc1ccc2c(C3=CCN(c4cccc(-c5nn[n-]n5)n4)CC3)c[nH]c2c1 ZINC000737656068 599412624 /nfs/dbraw/zinc/41/26/24/599412624.db2.gz HKUXIOZXJPDXJC-UHFFFAOYSA-N -1 1 361.384 3.176 20 10 FGCDMM O=S(=O)([N-]CCCSc1nccs1)c1c(F)cccc1Cl ZINC000132104363 700823776 /nfs/dbraw/zinc/82/37/76/700823776.db2.gz NSXWEZUQIXUSIR-UHFFFAOYSA-N -1 1 366.892 3.396 20 10 FGCDMM O=C1/C(=C\c2cc(F)c([O-])c(F)c2)SC(=S)N1c1cccnc1 ZINC000175319432 705543114 /nfs/dbraw/zinc/54/31/14/705543114.db2.gz OWEQZUNOCBQVIP-WUXMJOGZSA-N -1 1 350.371 3.471 20 10 FGCDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cc1 ZINC000804941545 724567311 /nfs/dbraw/zinc/56/73/11/724567311.db2.gz XXKDGHRQAGMMBG-UHFFFAOYSA-N -1 1 360.813 3.163 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000781907773 724610740 /nfs/dbraw/zinc/61/07/40/724610740.db2.gz FHCZQUJIWSBEOK-LLVKDONJSA-N -1 1 354.166 3.226 20 10 FGCDMM Cc1cc(O[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Cl ZINC000783065298 724720251 /nfs/dbraw/zinc/72/02/51/724720251.db2.gz YRSYHNLAFVINDU-LLVKDONJSA-N -1 1 364.781 3.253 20 10 FGCDMM O=C(COC(=O)c1c(F)cccc1Br)c1ccc([O-])c(O)c1 ZINC000783998247 724811536 /nfs/dbraw/zinc/81/15/36/724811536.db2.gz NTAPPFCEUNIVJS-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000755981389 722959293 /nfs/dbraw/zinc/95/92/93/722959293.db2.gz CIGGXBONNLAYMZ-UHFFFAOYSA-N -1 1 361.419 3.295 20 10 FGCDMM C[C@@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756798342 722970175 /nfs/dbraw/zinc/97/01/75/722970175.db2.gz YTOYZKDSJKMTIC-LLVKDONJSA-N -1 1 368.405 3.383 20 10 FGCDMM O=C(NCc1ccc(Br)c(F)c1)c1c([O-])c(O)ccc1F ZINC000789980561 723090444 /nfs/dbraw/zinc/09/04/44/723090444.db2.gz QBTGWBBCNKERGG-UHFFFAOYSA-N -1 1 358.138 3.069 20 10 FGCDMM CNC(=O)COc1ccc(NCc2cc(Cl)cc(F)c2[O-])c(C)c1 ZINC000793393393 723433349 /nfs/dbraw/zinc/43/33/49/723433349.db2.gz ACZBFMHCQQRMMZ-UHFFFAOYSA-N -1 1 352.793 3.230 20 10 FGCDMM O=C(NCc1ccc(Cl)o1)NCc1cccc(Br)c1[O-] ZINC000764792897 723446895 /nfs/dbraw/zinc/44/68/95/723446895.db2.gz ZDEWBJNBEUPGLI-UHFFFAOYSA-N -1 1 359.607 3.401 20 10 FGCDMM CCCn1cc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765305204 723504515 /nfs/dbraw/zinc/50/45/15/723504515.db2.gz WBEJKZMELKBYPY-UHFFFAOYSA-N -1 1 353.220 3.083 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(C2CC2)n1 ZINC000765731128 723535839 /nfs/dbraw/zinc/53/58/39/723535839.db2.gz GYAWSXCSHQERCD-UHFFFAOYSA-N -1 1 353.241 3.419 20 10 FGCDMM CO[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765729108 723535892 /nfs/dbraw/zinc/53/58/92/723535892.db2.gz YLPYPLRSPMQPCA-OAHLLOKOSA-N -1 1 350.212 3.159 20 10 FGCDMM O=C(CCn1cnc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765732674 723536378 /nfs/dbraw/zinc/53/63/78/723536378.db2.gz RIGAMRSTABDQCT-UHFFFAOYSA-N -1 1 374.238 3.211 20 10 FGCDMM C[C@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765747974 723537691 /nfs/dbraw/zinc/53/76/91/723537691.db2.gz SDHGXVZSJOGIIX-FZMZJTMJSA-N -1 1 356.260 3.366 20 10 FGCDMM COc1cc(OC)cc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752987 723538083 /nfs/dbraw/zinc/53/80/83/723538083.db2.gz LENYJRNYYNWDBX-UHFFFAOYSA-N -1 1 366.211 3.102 20 10 FGCDMM CCOc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765758558 723538738 /nfs/dbraw/zinc/53/87/38/723538738.db2.gz YXOFNEKLRUFARR-UHFFFAOYSA-N -1 1 364.239 3.412 20 10 FGCDMM O=C(Cc1ccc(F)cc1F)NCc1cccc(Br)c1[O-] ZINC000765769151 723539720 /nfs/dbraw/zinc/53/97/20/723539720.db2.gz IYOBHNGRYZOZAM-UHFFFAOYSA-N -1 1 356.166 3.292 20 10 FGCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765770251 723539734 /nfs/dbraw/zinc/53/97/34/723539734.db2.gz NHUVEQWPITUWFC-UHFFFAOYSA-N -1 1 354.175 3.232 20 10 FGCDMM [O-]c1c(Br)cccc1CNC(=S)NCc1ccccc1 ZINC000765992093 723550362 /nfs/dbraw/zinc/55/03/62/723550362.db2.gz GIHGEATXSAWTLE-UHFFFAOYSA-N -1 1 351.269 3.319 20 10 FGCDMM CCN(CC(=O)N1CCCCCC1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000796602327 723645873 /nfs/dbraw/zinc/64/58/73/723645873.db2.gz RJJJBZLAYKIJCF-UHFFFAOYSA-N -1 1 366.889 3.473 20 10 FGCDMM Cc1nn(C)cc1[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770313627 723710949 /nfs/dbraw/zinc/71/09/49/723710949.db2.gz ZGHKSLWIIHHYLX-CQSZACIVSA-N -1 1 350.806 3.333 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN[C@@H](c2cnn(C)c2)C(F)(F)F)c1[O-] ZINC000773985881 723846376 /nfs/dbraw/zinc/84/63/76/723846376.db2.gz MLXIFRIRSMXPRD-AWEZNQCLSA-N -1 1 361.751 3.375 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c(Br)c2)ccc1O ZINC000797820367 723866864 /nfs/dbraw/zinc/86/68/64/723866864.db2.gz UKYCLGONOTVSIJ-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM COc1cc(C(=O)Nc2cccc(N3CCOCC3)c2)cc(Cl)c1[O-] ZINC000785536777 724920389 /nfs/dbraw/zinc/92/03/89/724920389.db2.gz ILOSWEAYUUTQMH-UHFFFAOYSA-N -1 1 362.813 3.143 20 10 FGCDMM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@H](C)[S@@]1=O ZINC000809700467 725260362 /nfs/dbraw/zinc/26/03/62/725260362.db2.gz HDVLFAUQPCEDRB-YZRASEIHSA-N -1 1 360.317 3.195 20 10 FGCDMM O=C1N=C(SCc2nn[n-]n2)SC1=Cc1csc2ccccc12 ZINC000814772338 726998528 /nfs/dbraw/zinc/99/85/28/726998528.db2.gz UATQLXHKMSADSB-WZUFQYTHSA-N -1 1 359.461 3.318 20 10 FGCDMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000817356139 727242885 /nfs/dbraw/zinc/24/28/85/727242885.db2.gz GABBGIDHXCMQKX-LBPRGKRZSA-N -1 1 373.833 3.184 20 10 FGCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3c([O-])cccc3Cl)C2)cc1 ZINC000819586303 727383708 /nfs/dbraw/zinc/38/37/08/727383708.db2.gz MTYYOPDQVVZWBT-ZDUSSCGKSA-N -1 1 360.841 3.311 20 10 FGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824636104 729352236 /nfs/dbraw/zinc/35/22/36/729352236.db2.gz LUTZRTJEJIWGCY-QAPCUYQASA-N -1 1 353.796 3.485 20 10 FGCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])CC(F)F ZINC000827166926 729426296 /nfs/dbraw/zinc/42/62/96/729426296.db2.gz SBDCPBXVCCVSPU-QMMMGPOBSA-N -1 1 351.191 3.245 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccnc(F)c3)CC2)c1[O-] ZINC000831454820 729643478 /nfs/dbraw/zinc/64/34/78/729643478.db2.gz MYYAVAWGUROXLB-UHFFFAOYSA-N -1 1 363.820 3.105 20 10 FGCDMM Cc1cc(C2(NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCOCC2)on1 ZINC000858325653 732203235 /nfs/dbraw/zinc/20/32/35/732203235.db2.gz HADMRGDDVMXRRS-UHFFFAOYSA-N -1 1 367.789 3.046 20 10 FGCDMM CCCCn1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(C)n1 ZINC000872370974 735621321 /nfs/dbraw/zinc/62/13/21/735621321.db2.gz IAQWAGSAMJTHKH-UHFFFAOYSA-N -1 1 361.826 3.291 20 10 FGCDMM COCCN1C(=O)c2ccccc2N[C@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877846062 736734875 /nfs/dbraw/zinc/73/48/75/736734875.db2.gz PSMFLPBORBODQU-MRXNPFEDSA-N -1 1 350.777 3.398 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCC(OC[C@H]2CCCO2)CC1 ZINC000890759246 739827777 /nfs/dbraw/zinc/82/77/77/739827777.db2.gz ILEGSSANBSXJLM-AVVWSFFYSA-N -1 1 367.873 3.416 20 10 FGCDMM O=C(Cc1ccccc1O[C@H]1CCOC1)NCc1cccc(Cl)c1[O-] ZINC000890761009 739828784 /nfs/dbraw/zinc/82/87/84/739828784.db2.gz IGUIYJFJSPLTFK-HNNXBMFYSA-N -1 1 361.825 3.072 20 10 FGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000895052791 742369044 /nfs/dbraw/zinc/36/90/44/742369044.db2.gz APXNEBNOCMUOEX-GFCCVEGCSA-N -1 1 371.666 3.237 20 10 FGCDMM CC[C@H](COCC(F)(F)F)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895098487 742374849 /nfs/dbraw/zinc/37/48/49/742374849.db2.gz SXOOFSHLXKZYOB-SNVBAGLBSA-N -1 1 354.756 3.202 20 10 FGCDMM O=C(C[C@@H]1CCC2(CCC2)O1)NCc1cccc(Br)c1[O-] ZINC000897577459 742691540 /nfs/dbraw/zinc/69/15/40/742691540.db2.gz WJJQGDJKHVEOSC-LBPRGKRZSA-N -1 1 354.244 3.263 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2ccccc2C(C)(C)C)C(=O)[N-]C1=S ZINC000920975304 758627384 /nfs/dbraw/zinc/62/73/84/758627384.db2.gz CWWOYIBSEJYSBU-JLHYYAGUSA-N -1 1 359.495 3.179 20 10 FGCDMM CC[C@H](C)c1nc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000277514013 496799628 /nfs/dbraw/zinc/79/96/28/496799628.db2.gz WSHBVLVQDRPRJR-DTWKUNHWSA-N -1 1 353.810 3.436 20 10 FGCDMM CC(C)OCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277642461 496838048 /nfs/dbraw/zinc/83/80/48/496838048.db2.gz XUNBQDKYFYMJDO-UHFFFAOYSA-N -1 1 359.264 3.159 20 10 FGCDMM Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000279620730 497489265 /nfs/dbraw/zinc/48/92/65/497489265.db2.gz YGTZTUNBFBLVSM-NWDGAFQWSA-N -1 1 368.397 3.201 20 10 FGCDMM CCc1ccc([C@@H]2COCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])o1 ZINC000373205285 499457352 /nfs/dbraw/zinc/45/73/52/499457352.db2.gz QOCOBRDDTGCFNY-HNNXBMFYSA-N -1 1 362.382 3.038 20 10 FGCDMM COc1cc(Cl)cc(C[N@H+]2CC[C@H](OCc3c(C)noc3C)C2)c1O ZINC000377680322 499718993 /nfs/dbraw/zinc/71/89/93/499718993.db2.gz UWPULVGATVUKMV-HNNXBMFYSA-N -1 1 366.845 3.450 20 10 FGCDMM CC[N@H+](Cc1cc(C(=O)[O-])co1)Cc1cc(Br)ccc1[O-] ZINC000829718967 600857071 /nfs/dbraw/zinc/85/70/71/600857071.db2.gz SWNVVIQJXKETCJ-UHFFFAOYSA-N -1 1 354.200 3.468 20 10 FGCDMM CC[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1cc(Br)ccc1[O-] ZINC000829718967 600857073 /nfs/dbraw/zinc/85/70/73/600857073.db2.gz SWNVVIQJXKETCJ-UHFFFAOYSA-N -1 1 354.200 3.468 20 10 FGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833182055 604680380 /nfs/dbraw/zinc/68/03/80/604680380.db2.gz STGXUQJWKPRGII-BHYNMZESSA-N -1 1 354.790 3.172 20 10 FGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833182063 604680806 /nfs/dbraw/zinc/68/08/06/604680806.db2.gz STGXUQJWKPRGII-WFBYXXMGSA-N -1 1 354.790 3.172 20 10 FGCDMM Oc1ccc(Br)cc1C[NH+]1CCN(c2ccccc2O)CC1 ZINC000158516826 705188915 /nfs/dbraw/zinc/18/89/15/705188915.db2.gz TZIKEOAQYVMEOI-UHFFFAOYSA-N -1 1 363.255 3.183 20 10 FGCDMM Cc1coc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cc12 ZINC000185785400 712702118 /nfs/dbraw/zinc/70/21/18/712702118.db2.gz XMXCDLUXQWUHCT-UHFFFAOYSA-N -1 1 360.391 3.071 20 10 FGCDMM COc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1NS(C)(=O)=O ZINC000802642616 724394395 /nfs/dbraw/zinc/39/43/95/724394395.db2.gz DANDUMUQCYUAEA-UHFFFAOYSA-N -1 1 374.821 3.177 20 10 FGCDMM CSc1ccc(O[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783768638 724787996 /nfs/dbraw/zinc/78/79/96/724787996.db2.gz FHXHGYLAVCKJNQ-NSHDSACASA-N -1 1 362.403 3.013 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000750045706 722752903 /nfs/dbraw/zinc/75/29/03/722752903.db2.gz VMHHUIRRJBGRSN-TZMCWYRMSA-N -1 1 351.752 3.136 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000790384410 723134205 /nfs/dbraw/zinc/13/42/05/723134205.db2.gz HGVUQOMFNIGVHO-SRBZOADZSA-N -1 1 353.846 3.017 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)N(Cc3ccccc3)C2)c1[O-] ZINC000764420805 723412685 /nfs/dbraw/zinc/41/26/85/723412685.db2.gz XCNRPWMLNWHRIJ-UHFFFAOYSA-N -1 1 358.825 3.050 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ccc2nnc(C3CC3)n2n1 ZINC000764933109 723460918 /nfs/dbraw/zinc/46/09/18/723460918.db2.gz CDFYOASLTOGNLU-UHFFFAOYSA-N -1 1 360.215 3.082 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2ccccc2[nH]c1=O ZINC000765731005 723535990 /nfs/dbraw/zinc/53/59/90/723535990.db2.gz FOAZEXOBVSFXNB-UHFFFAOYSA-N -1 1 373.206 3.339 20 10 FGCDMM O=C(CSCc1cscn1)NCc1cccc(Br)c1[O-] ZINC000765736123 723536588 /nfs/dbraw/zinc/53/65/88/723536588.db2.gz LSDFXERLAVTXNY-UHFFFAOYSA-N -1 1 373.297 3.161 20 10 FGCDMM O=C(CCc1ccccc1O)NCc1cccc(Br)c1[O-] ZINC000765755871 723538487 /nfs/dbraw/zinc/53/84/87/723538487.db2.gz JHMUCHMAKWBAHY-UHFFFAOYSA-N -1 1 350.212 3.109 20 10 FGCDMM O=S(=O)(CC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000766199891 723560935 /nfs/dbraw/zinc/56/09/35/723560935.db2.gz KNYGXFDJRMLWKV-UHFFFAOYSA-N -1 1 362.289 3.154 20 10 FGCDMM COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773084347 723776252 /nfs/dbraw/zinc/77/62/52/723776252.db2.gz PTRBSDDVIQZPSK-NSHDSACASA-N -1 1 370.421 3.079 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)ccc1O ZINC000797820307 723866819 /nfs/dbraw/zinc/86/68/19/723866819.db2.gz QHPXPIANNPTEJS-UHFFFAOYSA-N -1 1 360.391 3.165 20 10 FGCDMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000778567729 724345583 /nfs/dbraw/zinc/34/55/83/724345583.db2.gz JMRQFVVRSWDJKF-UHFFFAOYSA-N -1 1 373.789 3.162 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)N(C)[C@H]2c2ccccc2)c1[O-] ZINC000801949943 724349583 /nfs/dbraw/zinc/34/95/83/724349583.db2.gz DXYDQEDDWVSZEO-LJQANCHMSA-N -1 1 358.825 3.221 20 10 FGCDMM COCC(C)(C)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000806054518 725113556 /nfs/dbraw/zinc/11/35/56/725113556.db2.gz XCIRUIOQFOZFOR-UHFFFAOYSA-N -1 1 373.291 3.407 20 10 FGCDMM COC(=O)[C@@H](CC(F)(F)F)NCc1cc(C)cc(Br)c1[O-] ZINC000789579860 725137551 /nfs/dbraw/zinc/13/75/51/725137551.db2.gz KIPYPSUDFLFYLS-SNVBAGLBSA-N -1 1 370.165 3.047 20 10 FGCDMM O=C(Cc1[nH]nc2ccccc21)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807837420 725171604 /nfs/dbraw/zinc/17/16/04/725171604.db2.gz PIXIVFIOERYDOK-UHFFFAOYSA-N -1 1 350.205 3.434 20 10 FGCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000807840223 725172244 /nfs/dbraw/zinc/17/22/44/725172244.db2.gz VBKWVNIXBBLTKG-UHFFFAOYSA-N -1 1 357.149 3.243 20 10 FGCDMM Cc1noc([C@H]2CCCN2Cc2cc(C)cc(Br)c2[O-])n1 ZINC000809720416 725262317 /nfs/dbraw/zinc/26/23/17/725262317.db2.gz BVKMFMZJIUEILK-CYBMUJFWSA-N -1 1 352.232 3.492 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN[C@H](C)c2noc(COC(C)C)n2)c1[O-] ZINC000810118647 725290058 /nfs/dbraw/zinc/29/00/58/725290058.db2.gz AGTAASJXYNJTKF-SNVBAGLBSA-N -1 1 367.833 3.407 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000811519020 725372340 /nfs/dbraw/zinc/37/23/40/725372340.db2.gz RVRNUUHZSRPVAX-ZBFHGGJFSA-N -1 1 352.818 3.487 20 10 FGCDMM CS(=O)(=O)N1CCc2c1cccc2NCc1cc(Cl)c(F)cc1[O-] ZINC000816569130 727176738 /nfs/dbraw/zinc/17/67/38/727176738.db2.gz AJTXYUXIMGVIBI-UHFFFAOYSA-N -1 1 370.833 3.119 20 10 FGCDMM NC(=O)COc1cccc2c1CCCN2Cc1c([O-])ccc(Cl)c1F ZINC000824932250 729365629 /nfs/dbraw/zinc/36/56/29/729365629.db2.gz MNQMLYHMIYWMSY-UHFFFAOYSA-N -1 1 364.804 3.002 20 10 FGCDMM C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccc(Br)cc1O)C[C@H](C)O2 ZINC000825754080 729394135 /nfs/dbraw/zinc/39/41/35/729394135.db2.gz ZJWAQNJHHMZRMS-IIYDPXPESA-N -1 1 370.287 3.313 20 10 FGCDMM O=S1(=O)CCCN1Cc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000826827876 729416516 /nfs/dbraw/zinc/41/65/16/729416516.db2.gz GXQXQMXODJQNMT-UHFFFAOYSA-N -1 1 366.870 3.193 20 10 FGCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(C2CC2)cc1 ZINC000829748018 729508575 /nfs/dbraw/zinc/50/85/75/729508575.db2.gz AUTRTPJDLDQLHG-UHFFFAOYSA-N -1 1 358.463 3.201 20 10 FGCDMM CC1(C)Cc2cc(S(=O)(=O)Nc3ccc([O-])c(F)c3F)ccc2O1 ZINC000830184363 729541752 /nfs/dbraw/zinc/54/17/52/729541752.db2.gz BDPIUVWBXWMIAZ-UHFFFAOYSA-N -1 1 355.362 3.185 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC12CCSCC2 ZINC000830530201 729569161 /nfs/dbraw/zinc/56/91/61/729569161.db2.gz WKMOKGJCHAZGIN-NSHDSACASA-N -1 1 356.285 3.304 20 10 FGCDMM CC(C)(C)O[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000848671742 731194866 /nfs/dbraw/zinc/19/48/66/731194866.db2.gz JLCJUPFBOAASMI-HAQNSBGRSA-N -1 1 371.275 3.300 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCn3c(nnc3C(C)(C)C)C2)c1[O-] ZINC000852741579 731629092 /nfs/dbraw/zinc/62/90/92/731629092.db2.gz VZOJAKBUPVKQAS-UHFFFAOYSA-N -1 1 362.861 3.153 20 10 FGCDMM O=S(=O)([N-]CCCSc1nccs1)c1ccc(C(F)F)o1 ZINC000866782685 733395206 /nfs/dbraw/zinc/39/52/06/733395206.db2.gz XKOPQKOGZQBUIP-UHFFFAOYSA-N -1 1 354.425 3.134 20 10 FGCDMM CC(=O)N1CCN(c2ccc(NCc3cccc(Cl)c3[O-])cc2)CC1 ZINC000877774795 736718523 /nfs/dbraw/zinc/71/85/23/736718523.db2.gz OACLFEMEMQSDPC-UHFFFAOYSA-N -1 1 359.857 3.326 20 10 FGCDMM COCC[S@](=O)Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883065676 737517656 /nfs/dbraw/zinc/51/76/56/737517656.db2.gz RYKJNDUUJUMCMB-DEOSSOPVSA-N -1 1 355.406 3.178 20 10 FGCDMM COCCc1ccnc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC000883117871 737525892 /nfs/dbraw/zinc/52/58/92/737525892.db2.gz JXSFRTJSGOASDV-UHFFFAOYSA-N -1 1 355.207 3.490 20 10 FGCDMM CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757745 739827279 /nfs/dbraw/zinc/82/72/79/739827279.db2.gz KFWSWJSOULNWIJ-CQSZACIVSA-N -1 1 366.870 3.178 20 10 FGCDMM Cc1ccc(N2CCC(C(=O)NCc3cccc(Cl)c3[O-])CC2)nc1 ZINC000890757304 739827464 /nfs/dbraw/zinc/82/74/64/739827464.db2.gz BTZICWWEFTYTGY-UHFFFAOYSA-N -1 1 359.857 3.282 20 10 FGCDMM O=C(Cc1cccc(N2CCCC2=O)c1)NCc1cccc(Cl)c1[O-] ZINC000890759082 739827913 /nfs/dbraw/zinc/82/79/13/739827913.db2.gz BRYKIHBXLXGWLV-UHFFFAOYSA-N -1 1 358.825 3.031 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000890759359 739828090 /nfs/dbraw/zinc/82/80/90/739828090.db2.gz AFYJZQYGRTVOPV-KGLIPLIRSA-N -1 1 359.809 3.237 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000893908302 742212249 /nfs/dbraw/zinc/21/22/49/742212249.db2.gz VTBZSBSRJTYHOH-BZPMIXESSA-N -1 1 358.916 3.224 20 10 FGCDMM CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccnn1C ZINC000894367597 742273934 /nfs/dbraw/zinc/27/39/34/742273934.db2.gz MDVSGRIQCXYTEJ-CYBMUJFWSA-N -1 1 350.850 3.018 20 10 FGCDMM CC(C)n1ncc2c1C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])CC2 ZINC000894399428 742278122 /nfs/dbraw/zinc/27/81/22/742278122.db2.gz SBXJRZKTKYIGOH-CQSZACIVSA-N -1 1 362.861 3.180 20 10 FGCDMM COc1ccc([C@H](NC(=O)NCc2cccc(Cl)c2[O-])C2CC2)cn1 ZINC000896069740 742490697 /nfs/dbraw/zinc/49/06/97/742490697.db2.gz CSFVRBATFBASMT-MRXNPFEDSA-N -1 1 361.829 3.400 20 10 FGCDMM Cn1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(C2CCCC2)n1 ZINC000901927554 743679449 /nfs/dbraw/zinc/67/94/49/743679449.db2.gz BHNFPDWFDKPLTR-UHFFFAOYSA-N -1 1 373.837 3.377 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000915981075 758015587 /nfs/dbraw/zinc/01/55/87/758015587.db2.gz JENCLCYHNHIGBX-JXMROGBWSA-N -1 1 355.366 3.380 20 10 FGCDMM C[C@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000920889714 758616024 /nfs/dbraw/zinc/61/60/24/758616024.db2.gz BCPPDVOISITHDU-ZDUSSCGKSA-N -1 1 360.841 3.373 20 10 FGCDMM O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc([O-])c(O)c1 ZINC000049775935 493883950 /nfs/dbraw/zinc/88/39/50/493883950.db2.gz WOVVNQNCGVYWBC-UHFFFAOYSA-N -1 1 371.418 3.183 20 10 FGCDMM CCCCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000092424443 494623436 /nfs/dbraw/zinc/62/34/36/494623436.db2.gz LWBIICYVANIBDU-UHFFFAOYSA-N -1 1 362.451 3.211 20 10 FGCDMM Cc1cnc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277411705 496764205 /nfs/dbraw/zinc/76/42/05/496764205.db2.gz KNCYYUFLOUOPFK-SECBINFHSA-N -1 1 370.272 3.480 20 10 FGCDMM Cc1noc(Cl)c1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277451726 496777925 /nfs/dbraw/zinc/77/79/25/496777925.db2.gz GHTXZTCBYDKVOH-UHFFFAOYSA-N -1 1 373.634 3.354 20 10 FGCDMM Cc1nc(CC(=O)NCc2cccc(Br)c2[O-])c(C)s1 ZINC000277560151 496812853 /nfs/dbraw/zinc/81/28/53/496812853.db2.gz PIJXMIFWQRWAAV-UHFFFAOYSA-N -1 1 355.257 3.087 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NCC1CCSCC1 ZINC000277836870 496904634 /nfs/dbraw/zinc/90/46/34/496904634.db2.gz YHAHWNMAVRISDI-UHFFFAOYSA-N -1 1 359.289 3.097 20 10 FGCDMM C[C@@H]1CCCC[C@H]1c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273858543 496934330 /nfs/dbraw/zinc/93/43/30/496934330.db2.gz MCWUQPNEAHOMDB-ZYHUDNBSSA-N -1 1 351.428 3.107 20 10 FGCDMM COc1c([O-])c(CN2C[C@@H](C)O[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166007 497024830 /nfs/dbraw/zinc/02/48/30/497024830.db2.gz FESOUENRGZMSTD-IAQYHMDHSA-N -1 1 364.423 3.333 20 10 FGCDMM COc1c([O-])c(CN2CCO[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000278253186 497052477 /nfs/dbraw/zinc/05/24/77/497052477.db2.gz PIXRQUCZZYDPSH-INIZCTEOSA-N -1 1 362.357 3.022 20 10 FGCDMM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000279771309 497535763 /nfs/dbraw/zinc/53/57/63/497535763.db2.gz STWYPQQKIFIMCW-IRXDYDNUSA-N -1 1 359.491 3.390 20 10 FGCDMM C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@H]1CCS(=O)(=O)C1 ZINC000279771303 497536625 /nfs/dbraw/zinc/53/66/25/497536625.db2.gz STWYPQQKIFIMCW-IAGOWNOFSA-N -1 1 359.491 3.390 20 10 FGCDMM CC(C)[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277272379 497792379 /nfs/dbraw/zinc/79/23/79/497792379.db2.gz AEPPMZLZPBCWQD-OCCSQVGLSA-N -1 1 371.275 3.158 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCN2C(C)=O)c1[O-] ZINC000375875066 499564046 /nfs/dbraw/zinc/56/40/46/499564046.db2.gz SDNRDADAFCXFJA-QZTJIDSGSA-N -1 1 364.873 3.224 20 10 FGCDMM CC[N@H+](Cc1occc1C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829718095 600857126 /nfs/dbraw/zinc/85/71/26/600857126.db2.gz BUYCXCHPTLHMOC-UHFFFAOYSA-N -1 1 354.200 3.468 20 10 FGCDMM CC[N@@H+](Cc1occc1C(=O)[O-])Cc1cc(Br)ccc1[O-] ZINC000829718095 600857127 /nfs/dbraw/zinc/85/71/27/600857127.db2.gz BUYCXCHPTLHMOC-UHFFFAOYSA-N -1 1 354.200 3.468 20 10 FGCDMM COc1ccc([C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C(=O)[O-])cc1 ZINC000832252187 601418784 /nfs/dbraw/zinc/41/87/84/601418784.db2.gz HXDOYIXHGOWURA-INIZCTEOSA-N -1 1 363.797 3.172 20 10 FGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Br)c1[O-] ZINC000833181973 604680729 /nfs/dbraw/zinc/68/07/29/604680729.db2.gz OSLOEJMWRQBAEA-BPNCWPANSA-N -1 1 354.244 3.372 20 10 FGCDMM O=C([O-])Nc1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000834259429 605462673 /nfs/dbraw/zinc/46/26/73/605462673.db2.gz ZCXDUVPPRPUQSC-MRXNPFEDSA-N -1 1 357.410 3.058 20 10 FGCDMM Cn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccccc1F ZINC000007235745 695565684 /nfs/dbraw/zinc/56/56/84/695565684.db2.gz FAJQZHYTDAYHJS-UHFFFAOYSA-N -1 1 359.382 3.007 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCCN(c3nccs3)CC2)c1[O-] ZINC000092482513 700436557 /nfs/dbraw/zinc/43/65/57/700436557.db2.gz SBUHQCNBIHXTMU-UHFFFAOYSA-N -1 1 368.846 3.123 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1[O-] ZINC000157033443 705141264 /nfs/dbraw/zinc/14/12/64/705141264.db2.gz YAMUWBIJSRETGN-CQSZACIVSA-N -1 1 368.861 3.347 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1[O-] ZINC000246205810 713619499 /nfs/dbraw/zinc/61/94/99/713619499.db2.gz XPGVQQLDVJDOGT-JKSUJKDBSA-N -1 1 373.902 3.036 20 10 FGCDMM O=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)c1c([O-])c(O)ccc1F ZINC000789977127 723090121 /nfs/dbraw/zinc/09/01/21/723090121.db2.gz QJRCLBAPLXBZII-LBPRGKRZSA-N -1 1 360.168 3.007 20 10 FGCDMM O=C(NCCOc1cccc(C(F)(F)F)c1)c1c(F)ccc(O)c1[O-] ZINC000790068860 723101968 /nfs/dbraw/zinc/10/19/68/723101968.db2.gz GMBBKKKWFGEFEB-UHFFFAOYSA-N -1 1 359.275 3.065 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1[O-] ZINC000790384412 723134102 /nfs/dbraw/zinc/13/41/02/723134102.db2.gz HGVUQOMFNIGVHO-WHWRDJHUSA-N -1 1 353.846 3.017 20 10 FGCDMM CSCCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764804298 723448174 /nfs/dbraw/zinc/44/81/74/723448174.db2.gz HVUXAHJRYPWOAV-UHFFFAOYSA-N -1 1 361.305 3.487 20 10 FGCDMM CC[C@@H](C)CC[C@H](O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000793967926 723479342 /nfs/dbraw/zinc/47/93/42/723479342.db2.gz GVXUWOYPXFJAEI-YPMHNXCESA-N -1 1 358.276 3.348 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(-c2ccccc2)c1 ZINC000765752006 723538247 /nfs/dbraw/zinc/53/82/47/723538247.db2.gz DBJBASXJLOSNNE-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM O=C(CCC(=O)c1cccs1)NCc1cccc(Br)c1[O-] ZINC000765757059 723538475 /nfs/dbraw/zinc/53/84/75/723538475.db2.gz QANCGLJYEUFLAQ-UHFFFAOYSA-N -1 1 368.252 3.496 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(CCO)Cc2cccnc2Cl)c1[O-] ZINC000796563171 723644017 /nfs/dbraw/zinc/64/40/17/723644017.db2.gz NNSDKFVDTIZIHQ-UHFFFAOYSA-N -1 1 369.248 3.291 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1O ZINC000797820412 723866787 /nfs/dbraw/zinc/86/67/87/723866787.db2.gz WOUAISCPDFDWSX-UHFFFAOYSA-N -1 1 372.786 3.072 20 10 FGCDMM O=C(/C=C/Sc1cc(F)ccc1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000797938322 723887885 /nfs/dbraw/zinc/88/78/85/723887885.db2.gz VLZWVQIXLLTBGX-AATRIKPKSA-N -1 1 366.341 3.408 20 10 FGCDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1N1C(=O)CCNC1=O ZINC000800537005 724210701 /nfs/dbraw/zinc/21/07/01/724210701.db2.gz XJPFRFNLYXXJGT-UHFFFAOYSA-N -1 1 359.813 3.412 20 10 FGCDMM CN1CC(=O)N(c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)C1=O ZINC000816525426 727171751 /nfs/dbraw/zinc/17/17/51/727171751.db2.gz SLBPIKQQQNDLMW-UHFFFAOYSA-N -1 1 363.776 3.195 20 10 FGCDMM CCn1nc(C)c(CN[C@@H](C)c2cc(Br)c(F)cc2[O-])n1 ZINC000818345357 727308563 /nfs/dbraw/zinc/30/85/63/727308563.db2.gz LPENFJWXKCOSBD-QMMMGPOBSA-N -1 1 357.227 3.064 20 10 FGCDMM Cn1ccnc1[C@H](NCc1cc(Cl)cc(Cl)c1[O-])C(C)(C)CO ZINC000824673213 729354454 /nfs/dbraw/zinc/35/44/54/729354454.db2.gz PMEVAVBFWVLXMZ-AWEZNQCLSA-N -1 1 358.269 3.282 20 10 FGCDMM NC(=O)COc1cccc2c1CCCN2Cc1cc(Cl)c(F)cc1[O-] ZINC000824932845 729365571 /nfs/dbraw/zinc/36/55/71/729365571.db2.gz YBKOJDLAIZHLER-UHFFFAOYSA-N -1 1 364.804 3.002 20 10 FGCDMM CC[C@@H](C)[C@H](CNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000836546465 729959876 /nfs/dbraw/zinc/95/98/76/729959876.db2.gz IBBVZWVKJIZRRF-MFKMUULPSA-N -1 1 359.264 3.015 20 10 FGCDMM CO[C@](C)([C@H](C)NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000840424702 730144363 /nfs/dbraw/zinc/14/43/63/730144363.db2.gz QYUBNGIHPUFWFE-MGPLVRAMSA-N -1 1 371.275 3.158 20 10 FGCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1cc(O)cc(Br)c1[O-] ZINC000840828369 730180323 /nfs/dbraw/zinc/18/03/23/730180323.db2.gz QOKVDIMTJVYAFW-CYBMUJFWSA-N -1 1 371.275 3.115 20 10 FGCDMM Cc1cc(C(=O)N2CCOCC2)ccc1NCc1cccc(Cl)c1[O-] ZINC000840952852 730196322 /nfs/dbraw/zinc/19/63/22/730196322.db2.gz WJCRDSSSZNNRRS-UHFFFAOYSA-N -1 1 360.841 3.439 20 10 FGCDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1[N+](=O)[O-] ZINC000842588744 730516603 /nfs/dbraw/zinc/51/66/03/730516603.db2.gz OUEBCBZBFSYJSY-UHFFFAOYSA-N -1 1 350.396 3.226 20 10 FGCDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(O)cc1OC(C)C)C1CCCC1 ZINC000849309618 731245507 /nfs/dbraw/zinc/24/55/07/731245507.db2.gz JPNSHEXMUWEAQV-QGZVFWFLSA-N -1 1 357.472 3.126 20 10 FGCDMM Cc1cc(Br)c([O-])c([C@H]2NC(=O)[C@@H]3Cc4ccccc4CN32)c1 ZINC000877865503 736737975 /nfs/dbraw/zinc/73/79/75/736737975.db2.gz CDTMKNKDKVMLRM-RDJZCZTQSA-N -1 1 373.250 3.018 20 10 FGCDMM CCCS(=O)(=O)Nc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883066672 737517600 /nfs/dbraw/zinc/51/76/00/737517600.db2.gz GROPCYALUHPSSS-UHFFFAOYSA-N -1 1 356.394 3.434 20 10 FGCDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000890759054 739827900 /nfs/dbraw/zinc/82/79/00/739827900.db2.gz AWFZVCMEVHKIPM-LLVKDONJSA-N -1 1 368.861 3.165 20 10 FGCDMM CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762749 739828582 /nfs/dbraw/zinc/82/85/82/739828582.db2.gz HMRPNMJYPGGVMX-ZDUSSCGKSA-N -1 1 366.845 3.275 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000895195055 742386064 /nfs/dbraw/zinc/38/60/64/742386064.db2.gz MMUGDCMYKMXQSB-ZBFHGGJFSA-N -1 1 361.829 3.160 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NCc1cccnc1N1CCCC1 ZINC000895665808 742437802 /nfs/dbraw/zinc/43/78/02/742437802.db2.gz KKPMJQZFEJGOAF-UHFFFAOYSA-N -1 1 360.845 3.040 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN[C@H](c1ncccn1)C1CC1 ZINC000922578292 758954985 /nfs/dbraw/zinc/95/49/85/758954985.db2.gz ZWFRHCIXFSYUPE-ZDUSSCGKSA-N -1 1 352.207 3.325 20 10 FGCDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000064374611 494118387 /nfs/dbraw/zinc/11/83/87/494118387.db2.gz CBPMXCYTHVPISK-UHFFFAOYSA-N -1 1 355.828 3.154 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCC(O)(C(F)(F)F)CC2)c1[O-] ZINC000089970457 494416580 /nfs/dbraw/zinc/41/65/80/494416580.db2.gz FHUOFROSIRPGJA-UHFFFAOYSA-N -1 1 351.752 3.137 20 10 FGCDMM O=C(c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1)N1CCOCC1 ZINC000294256078 498635392 /nfs/dbraw/zinc/63/53/92/498635392.db2.gz NNOGLCGPFWGVHF-UHFFFAOYSA-N -1 1 364.804 3.269 20 10 FGCDMM O=C([O-])C[N@H+](Cc1ccc(F)c(F)c1)Cc1c([O-])ccc2ccncc21 ZINC000739795491 599854299 /nfs/dbraw/zinc/85/42/99/599854299.db2.gz JMVBOPWHFBTQFT-UHFFFAOYSA-N -1 1 358.344 3.305 20 10 FGCDMM O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1c([O-])ccc2ccncc21 ZINC000739795491 599854300 /nfs/dbraw/zinc/85/43/00/599854300.db2.gz JMVBOPWHFBTQFT-UHFFFAOYSA-N -1 1 358.344 3.305 20 10 FGCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833420300 605548989 /nfs/dbraw/zinc/54/89/89/605548989.db2.gz QCWJIUCCGBWDTI-NSHDSACASA-N -1 1 356.806 3.277 20 10 FGCDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000826424976 608013012 /nfs/dbraw/zinc/01/30/12/608013012.db2.gz KYDPNTQTZNWKBA-UHFFFAOYSA-N -1 1 373.380 3.117 20 10 FGCDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000826424976 608013013 /nfs/dbraw/zinc/01/30/13/608013013.db2.gz KYDPNTQTZNWKBA-UHFFFAOYSA-N -1 1 373.380 3.117 20 10 FGCDMM COc1ccc2c(c1)C(=O)N(C)[C@@H](c1cccc(Br)c1[O-])N2 ZINC000102417642 700475580 /nfs/dbraw/zinc/47/55/80/700475580.db2.gz JLUFSWIEYHECEF-HNNXBMFYSA-N -1 1 363.211 3.360 20 10 FGCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000152375768 704961212 /nfs/dbraw/zinc/96/12/12/704961212.db2.gz AGWKEZZCHPJUQX-SECBINFHSA-N -1 1 366.211 3.360 20 10 FGCDMM O=C(COC(=O)c1cc(C(F)(F)F)ccc1F)c1ccc([O-])c(O)c1 ZINC000784139388 724824860 /nfs/dbraw/zinc/82/48/60/724824860.db2.gz VHSNWXRHGHIFBJ-UHFFFAOYSA-N -1 1 358.243 3.295 20 10 FGCDMM O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1c([O-])c(O)ccc1F ZINC000789998029 723092814 /nfs/dbraw/zinc/09/28/14/723092814.db2.gz SFFIYKJAPWQMTC-VIFPVBQESA-N -1 1 368.767 3.038 20 10 FGCDMM COCC(=O)N1CCc2cc(NCc3c([O-])ccc(Cl)c3F)ccc21 ZINC000790987741 723202557 /nfs/dbraw/zinc/20/25/57/723202557.db2.gz IAMCSGQLTSWLRW-UHFFFAOYSA-N -1 1 364.804 3.332 20 10 FGCDMM C[C@H](c1cccs1)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000762195721 723224505 /nfs/dbraw/zinc/22/45/05/723224505.db2.gz QTWJLRLQXZGDHK-SECBINFHSA-N -1 1 365.436 3.027 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000792702141 723358431 /nfs/dbraw/zinc/35/84/31/723358431.db2.gz NOALQISZKJNKQE-UHFFFAOYSA-N -1 1 370.427 3.012 20 10 FGCDMM CS[C@@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764790210 723446163 /nfs/dbraw/zinc/44/61/63/723446163.db2.gz IELQGKGCDYRIOM-WDEREUQCSA-N -1 1 359.289 3.238 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1Cc2ccccc21 ZINC000765480689 723516182 /nfs/dbraw/zinc/51/61/82/723516182.db2.gz ZXEJFQJCZXQRBA-CYBMUJFWSA-N -1 1 361.239 3.294 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])s1 ZINC000765736050 723536623 /nfs/dbraw/zinc/53/66/23/723536623.db2.gz KFKXATLJGKRQFC-UHFFFAOYSA-N -1 1 357.185 3.054 20 10 FGCDMM O=C(COCCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765752483 723538276 /nfs/dbraw/zinc/53/82/76/723538276.db2.gz WSLBOQKZKCLIKC-UHFFFAOYSA-N -1 1 364.239 3.030 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1[O-] ZINC000797527244 723830543 /nfs/dbraw/zinc/83/05/43/723830543.db2.gz DWIXDALDJAKESZ-WTOJCKNJSA-N -1 1 367.873 3.407 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2cccc(Br)c2C)ccc1O ZINC000797819235 723866118 /nfs/dbraw/zinc/86/61/18/723866118.db2.gz AZLHGRKUCOGIOB-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2cc(Br)ccc2C)ccc1O ZINC000797820053 723866371 /nfs/dbraw/zinc/86/63/71/723866371.db2.gz DDCUPJBJBOKLCO-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM Cc1nsc(N2CCCN(Cc3cc(Cl)cc(F)c3[O-])CC2)n1 ZINC000775724034 724031214 /nfs/dbraw/zinc/03/12/14/724031214.db2.gz CCHNFHRUFGSSEV-UHFFFAOYSA-N -1 1 356.854 3.057 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])C1(c2ccccc2)CC(=O)C1 ZINC000811459665 725366760 /nfs/dbraw/zinc/36/67/60/725366760.db2.gz KMZKASQRWDSNCI-UHFFFAOYSA-N -1 1 374.234 3.072 20 10 FGCDMM COc1cccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)c1 ZINC000811704457 725377316 /nfs/dbraw/zinc/37/73/16/725377316.db2.gz GYISWRWDEPYQKV-UHFFFAOYSA-N -1 1 351.424 3.127 20 10 FGCDMM O=S(=O)(CCC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000831289002 729630594 /nfs/dbraw/zinc/63/05/94/729630594.db2.gz XOPSQWQMTNWLPL-UHFFFAOYSA-N -1 1 362.289 3.154 20 10 FGCDMM Cc1ccc(O[C@@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)nc1 ZINC000858011846 732176067 /nfs/dbraw/zinc/17/60/67/732176067.db2.gz RZZOFOXOJNXPNY-CQSZACIVSA-N -1 1 363.801 3.311 20 10 FGCDMM NC(=O)c1ccc(CN(Cc2ccc(F)c(F)c2[O-])C2CC2)c(F)c1 ZINC000877545064 736681377 /nfs/dbraw/zinc/68/13/77/736681377.db2.gz FUWWWGZRHKUWRZ-UHFFFAOYSA-N -1 1 350.340 3.073 20 10 FGCDMM O=C(CCCc1ccc2c(c1)CC(=O)N2)NCc1cccc(Cl)c1[O-] ZINC000890759393 739827762 /nfs/dbraw/zinc/82/77/62/739827762.db2.gz AOIYQBVHKWUHQG-UHFFFAOYSA-N -1 1 358.825 3.179 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000890761795 739828528 /nfs/dbraw/zinc/82/85/28/739828528.db2.gz YLDCNKFMLHPGBY-GHMZBOCLSA-N -1 1 351.752 3.409 20 10 FGCDMM CN1c2ccc(C(=O)NCc3cccc(Cl)c3[O-])cc2C(C)(C)C1=O ZINC000890760958 739828542 /nfs/dbraw/zinc/82/85/42/739828542.db2.gz GJPDEFONBMYWDV-UHFFFAOYSA-N -1 1 358.825 3.230 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000896659842 742578704 /nfs/dbraw/zinc/57/87/04/742578704.db2.gz HRLVMDLADBLEAY-CMPLNLGQSA-N -1 1 366.767 3.345 20 10 FGCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(F)c(F)c1F ZINC000915220803 757901269 /nfs/dbraw/zinc/90/12/69/757901269.db2.gz YOOUAFXMYTUXGZ-UHFFFAOYSA-N -1 1 370.396 3.183 20 10 FGCDMM [O-]c1c(Cl)cc(Cl)cc1CNC1(c2ncccn2)CCOCC1 ZINC000923008947 759048672 /nfs/dbraw/zinc/04/86/72/759048672.db2.gz BQSYTLCWWOPJMY-UHFFFAOYSA-N -1 1 354.237 3.285 20 10 FGCDMM [O-]c1c(Br)cc(Cl)cc1CNCc1noc2c1COCC2 ZINC000923019676 759051440 /nfs/dbraw/zinc/05/14/40/759051440.db2.gz UVEBORRYNKFPEQ-UHFFFAOYSA-N -1 1 373.634 3.159 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nnc(CC(F)(F)F)s1 ZINC000930428186 760607498 /nfs/dbraw/zinc/60/74/98/760607498.db2.gz UPVCRAWEKOJGSA-UHFFFAOYSA-N -1 1 366.752 3.324 20 10 FGCDMM O=C(C[C@@H]1CSCCS1)NCc1cccc(Br)c1[O-] ZINC000277404420 496761909 /nfs/dbraw/zinc/76/19/09/496761909.db2.gz BNIQRPGBBKTLLL-SNVBAGLBSA-N -1 1 362.314 3.010 20 10 FGCDMM CC(C)[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277272374 497792710 /nfs/dbraw/zinc/79/27/10/497792710.db2.gz AEPPMZLZPBCWQD-JSGCOSHPSA-N -1 1 371.275 3.158 20 10 FGCDMM [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375414132 499515818 /nfs/dbraw/zinc/51/58/18/499515818.db2.gz LLMYHWCHYJZORJ-NSHDSACASA-N -1 1 364.243 3.405 20 10 FGCDMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000822361491 599310440 /nfs/dbraw/zinc/31/04/40/599310440.db2.gz CLYNQVGFCXZMJW-MDWZMJQESA-N -1 1 369.431 3.174 20 10 FGCDMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000822361491 599310443 /nfs/dbraw/zinc/31/04/43/599310443.db2.gz CLYNQVGFCXZMJW-MDWZMJQESA-N -1 1 369.431 3.174 20 10 FGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(Br)c1[O-] ZINC000833181976 604680549 /nfs/dbraw/zinc/68/05/49/604680549.db2.gz OSLOEJMWRQBAEA-HONMWMINSA-N -1 1 354.244 3.372 20 10 FGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(Br)c1[O-] ZINC000833181978 604680617 /nfs/dbraw/zinc/68/06/17/604680617.db2.gz OSLOEJMWRQBAEA-SWHYSGLUSA-N -1 1 354.244 3.372 20 10 FGCDMM C[C@@H]1CN(c2ccc(CNCc3ccoc3C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000833633994 605080814 /nfs/dbraw/zinc/08/08/14/605080814.db2.gz DLJDIWBDCBMGSQ-BETUJISGSA-N -1 1 362.401 3.020 20 10 FGCDMM C[C@H]1Oc2ccc(NCc3cccc(Br)c3[O-])cc2NC1=O ZINC000098039193 700464727 /nfs/dbraw/zinc/46/47/27/700464727.db2.gz LOWBDVXGEJTYCT-SECBINFHSA-N -1 1 363.211 3.486 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(CC(N)=O)[C@H](C)c2ccccc2)c1[O-] ZINC000123884185 700711538 /nfs/dbraw/zinc/71/15/38/700711538.db2.gz PBMVGJVPUWFBJA-GFCCVEGCSA-N -1 1 360.841 3.297 20 10 FGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(Br)cc1F ZINC000154469058 705035569 /nfs/dbraw/zinc/03/55/69/705035569.db2.gz UJYKRUZVUCCKAH-UHFFFAOYSA-N -1 1 364.167 3.234 20 10 FGCDMM O=C1[N-]C(=S)SC1=Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000171981021 705403938 /nfs/dbraw/zinc/40/39/38/705403938.db2.gz WOGKZDLMSJXCTP-YHYXMXQVSA-N -1 1 366.265 3.328 20 10 FGCDMM COc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1Br ZINC000176711230 705587188 /nfs/dbraw/zinc/58/71/88/705587188.db2.gz LFIYAMQOMKPHPO-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191799561 712843568 /nfs/dbraw/zinc/84/35/68/712843568.db2.gz VPGAEIBLLQJXIR-UHFFFAOYSA-N -1 1 350.396 3.280 20 10 FGCDMM O=C(c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1)N1CCOCC1 ZINC000195094419 713545235 /nfs/dbraw/zinc/54/52/35/713545235.db2.gz HTLDWNIYQGLGLX-UHFFFAOYSA-N -1 1 364.804 3.269 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1[O-] ZINC000246205798 713619441 /nfs/dbraw/zinc/61/94/41/713619441.db2.gz XPGVQQLDVJDOGT-HZPDHXFCSA-N -1 1 373.902 3.036 20 10 FGCDMM COC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1C ZINC000764933467 723460875 /nfs/dbraw/zinc/46/08/75/723460875.db2.gz DGOJVJHFHASKOZ-UHFFFAOYSA-N -1 1 351.200 3.257 20 10 FGCDMM Cc1nc2ccc(C(=O)NCc3cccc(Br)c3[O-])cc2n1C ZINC000793967884 723479447 /nfs/dbraw/zinc/47/94/47/723479447.db2.gz GRDNBFBNNLTUOZ-UHFFFAOYSA-N -1 1 374.238 3.280 20 10 FGCDMM CC(C)Oc1cccc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765727546 723535385 /nfs/dbraw/zinc/53/53/85/723535385.db2.gz CEWQIZNJRUTQPD-UHFFFAOYSA-N -1 1 365.227 3.267 20 10 FGCDMM O=C(CCOCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765735873 723536717 /nfs/dbraw/zinc/53/67/17/723536717.db2.gz ISRFFIIZKKTERN-UHFFFAOYSA-N -1 1 364.239 3.378 20 10 FGCDMM O=C(Cc1cccc(F)c1F)NCc1cccc(Br)c1[O-] ZINC000765751128 723537919 /nfs/dbraw/zinc/53/79/19/723537919.db2.gz PCLWQNXWJRZTDY-UHFFFAOYSA-N -1 1 356.166 3.292 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1nc2cccnc2s1 ZINC000773635084 723808458 /nfs/dbraw/zinc/80/84/58/723808458.db2.gz AGYMKVXWXGUIID-UHFFFAOYSA-N -1 1 364.224 3.089 20 10 FGCDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1 ZINC000776750501 724179154 /nfs/dbraw/zinc/17/91/54/724179154.db2.gz GMOVKCYXQXBEPF-UHFFFAOYSA-N -1 1 369.826 3.413 20 10 FGCDMM O=C(COC(=O)c1nc2ccccc2cc1Cl)c1ccc([O-])c(O)c1 ZINC000811293937 725356647 /nfs/dbraw/zinc/35/66/47/725356647.db2.gz DVACWNFKHPGAMA-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM O=C1CCC(=O)N1Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816522942 727171386 /nfs/dbraw/zinc/17/13/86/727171386.db2.gz VNEUELCZCMVLND-UHFFFAOYSA-N -1 1 362.788 3.446 20 10 FGCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1S(=O)(=O)N(C)C ZINC000825289647 729377251 /nfs/dbraw/zinc/37/72/51/729377251.db2.gz BYGFYFDVBHPABV-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM [O-]c1c(F)cc(Cl)cc1CN(CCN1CCOCC1)Cc1ccco1 ZINC000825305507 729378126 /nfs/dbraw/zinc/37/81/26/729378126.db2.gz LVAGXWVYEHZBIQ-UHFFFAOYSA-N -1 1 368.836 3.112 20 10 FGCDMM Cc1cc(Br)c([O-])c([C@@H]2NC(=O)[C@@H]3c4ccccc4CCN23)c1 ZINC000840822346 730179660 /nfs/dbraw/zinc/17/96/60/730179660.db2.gz TXZXCWIHHIYRCL-DOTOQJQBSA-N -1 1 373.250 3.191 20 10 FGCDMM Cn1cc(C(F)F)c(CNCc2cc(Br)cc(F)c2[O-])n1 ZINC000883198887 737534927 /nfs/dbraw/zinc/53/49/27/737534927.db2.gz RWTCSULCATZDPD-UHFFFAOYSA-N -1 1 364.165 3.255 20 10 FGCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC000854258497 731809717 /nfs/dbraw/zinc/80/97/17/731809717.db2.gz DXKLHDGVGGQWDS-LLVKDONJSA-N -1 1 364.243 3.153 20 10 FGCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1c([O-])cccc1Br ZINC000877856528 736735997 /nfs/dbraw/zinc/73/59/97/736735997.db2.gz DLTDMNMXCWNPIH-ZDUSSCGKSA-N -1 1 355.276 3.410 20 10 FGCDMM CN(C)c1nc(CNCc2cc(Br)cc(F)c2[O-])cs1 ZINC000883028006 737513904 /nfs/dbraw/zinc/51/39/04/737513904.db2.gz XGCGQSIKCLFWEH-UHFFFAOYSA-N -1 1 360.252 3.106 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1ccn(CC(F)F)n1 ZINC000883042724 737515187 /nfs/dbraw/zinc/51/51/87/737515187.db2.gz IHZUZAWGYMQVIM-UHFFFAOYSA-N -1 1 350.138 3.368 20 10 FGCDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1N1CCCS1(=O)=O ZINC000883067944 737517987 /nfs/dbraw/zinc/51/79/87/737517987.db2.gz BFRWLSVFJHESER-UHFFFAOYSA-N -1 1 368.405 3.131 20 10 FGCDMM CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890762748 739828253 /nfs/dbraw/zinc/82/82/53/739828253.db2.gz HMRPNMJYPGGVMX-CYBMUJFWSA-N -1 1 366.845 3.275 20 10 FGCDMM COC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1cccc(OC)c1 ZINC000895729478 742448384 /nfs/dbraw/zinc/44/83/84/742448384.db2.gz PYIPDVYQXCTUMJ-MRXNPFEDSA-N -1 1 364.829 3.241 20 10 FGCDMM COc1ccc([C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C2CC2)cn1 ZINC000896069739 742490709 /nfs/dbraw/zinc/49/07/09/742490709.db2.gz CSFVRBATFBASMT-INIZCTEOSA-N -1 1 361.829 3.400 20 10 FGCDMM C[C@@]1(CS(=O)(=O)NCc2cccc(Cl)c2[O-])CC1(Cl)Cl ZINC000908327934 744279520 /nfs/dbraw/zinc/27/95/20/744279520.db2.gz KRURXBYQGRFVAX-NSHDSACASA-N -1 1 358.674 3.049 20 10 FGCDMM O=S(=O)(CC[C@@H]1CC1(Cl)Cl)NCc1cccc(Cl)c1[O-] ZINC000908330486 744279843 /nfs/dbraw/zinc/27/98/43/744279843.db2.gz ZDMNJHOWGPQZCW-SECBINFHSA-N -1 1 358.674 3.049 20 10 FGCDMM O=C(Cc1c(Cl)cccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916589983 758102475 /nfs/dbraw/zinc/10/24/75/758102475.db2.gz RHMMWPVOEPZAGU-UHFFFAOYSA-N -1 1 355.173 3.373 20 10 FGCDMM CCn1ccnc1[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000281115850 498025670 /nfs/dbraw/zinc/02/56/70/498025670.db2.gz MEQASNKDGRXBEI-OAHLLOKOSA-N -1 1 360.414 3.253 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ncnc2c1ncn2C1CC1 ZINC000292668240 498102141 /nfs/dbraw/zinc/10/21/41/498102141.db2.gz HSLYHUKFOAHWBS-UHFFFAOYSA-N -1 1 360.215 3.241 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1coc2c1C(=O)CCC2 ZINC000296671312 498146136 /nfs/dbraw/zinc/14/61/36/498146136.db2.gz KUGHPXVXUVXQFO-UHFFFAOYSA-N -1 1 364.195 3.197 20 10 FGCDMM [O-]c1c(Cl)cccc1CNCc1nnc2n1C[C@@H](C(F)(F)F)CC2 ZINC000370367695 499213719 /nfs/dbraw/zinc/21/37/19/499213719.db2.gz WJUYDOQKOIVECR-JTQLQIEISA-N -1 1 360.767 3.052 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCN2C(C)=O)c1[O-] ZINC000375875068 499564074 /nfs/dbraw/zinc/56/40/74/499564074.db2.gz SDNRDADAFCXFJA-ZWKOTPCHSA-N -1 1 364.873 3.224 20 10 FGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000822240993 599379480 /nfs/dbraw/zinc/37/94/80/599379480.db2.gz IBAOTZKQYGVBRD-MDWZMJQESA-N -1 1 369.431 3.174 20 10 FGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000822240993 599379483 /nfs/dbraw/zinc/37/94/83/599379483.db2.gz IBAOTZKQYGVBRD-MDWZMJQESA-N -1 1 369.431 3.174 20 10 FGCDMM O=C([O-])C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000739796491 600143311 /nfs/dbraw/zinc/14/33/11/600143311.db2.gz HFUHKSVVFJHYHF-UHFFFAOYSA-N -1 1 350.758 3.041 20 10 FGCDMM O=C([O-])C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc(Cl)ccc1[O-] ZINC000739796491 600143314 /nfs/dbraw/zinc/14/33/14/600143314.db2.gz HFUHKSVVFJHYHF-UHFFFAOYSA-N -1 1 350.758 3.041 20 10 FGCDMM C[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739185186 603392271 /nfs/dbraw/zinc/39/22/71/603392271.db2.gz NYHRZRBPVZKBCQ-WFASDCNBSA-N -1 1 358.438 3.495 20 10 FGCDMM C[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739185186 603392274 /nfs/dbraw/zinc/39/22/74/603392274.db2.gz NYHRZRBPVZKBCQ-WFASDCNBSA-N -1 1 358.438 3.495 20 10 FGCDMM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cccc(F)c1F ZINC000116608115 700595385 /nfs/dbraw/zinc/59/53/85/700595385.db2.gz FIKRGMQVIYAQCA-UHFFFAOYSA-N -1 1 366.433 3.434 20 10 FGCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(F)c(Br)c1 ZINC000174646435 705511731 /nfs/dbraw/zinc/51/17/31/705511731.db2.gz DERXUELZVFWPOZ-UHFFFAOYSA-N -1 1 374.187 3.118 20 10 FGCDMM O=C(COc1cc(Cl)ccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782589928 724684911 /nfs/dbraw/zinc/68/49/11/724684911.db2.gz XLGWRPKIUXYZSP-UHFFFAOYSA-N -1 1 371.172 3.210 20 10 FGCDMM O=C(COC(=O)c1ccc(Cl)c2cccnc12)c1ccc([O-])c(O)c1 ZINC000782992998 724714911 /nfs/dbraw/zinc/71/49/11/724714911.db2.gz HXLWFGGPIFSWII-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN([C@@H](C)C(F)(F)F)CC2)c1[O-] ZINC000750056467 722753324 /nfs/dbraw/zinc/75/33/24/722753324.db2.gz IISGDOIBMPTLJT-NSHDSACASA-N -1 1 364.795 3.317 20 10 FGCDMM O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)[N-]c1ccc(O)cc1F ZINC000758171396 722985501 /nfs/dbraw/zinc/98/55/01/722985501.db2.gz SAHSIWTVZJNSTM-UHFFFAOYSA-N -1 1 366.345 3.267 20 10 FGCDMM O=C(N[C@@H]1CCCN(c2ccccc2Cl)C1)c1c([O-])c(O)ccc1F ZINC000789981194 723090423 /nfs/dbraw/zinc/09/04/23/723090423.db2.gz LLGGKQGVJHLOJN-LLVKDONJSA-N -1 1 364.804 3.289 20 10 FGCDMM C[C@@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1nnnn1C1CC1 ZINC000790754715 723174225 /nfs/dbraw/zinc/17/42/25/723174225.db2.gz JGCSBHGWZBIMTD-JGVFFNPUSA-N -1 1 370.226 3.027 20 10 FGCDMM CS[C@@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764790205 723446254 /nfs/dbraw/zinc/44/62/54/723446254.db2.gz IELQGKGCDYRIOM-GHMZBOCLSA-N -1 1 359.289 3.238 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccncc2)on1 ZINC000765735225 723536715 /nfs/dbraw/zinc/53/67/15/723536715.db2.gz FALMLRYLUUTPDH-UHFFFAOYSA-N -1 1 374.194 3.135 20 10 FGCDMM Cc1noc(C2CC2)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765748608 723537518 /nfs/dbraw/zinc/53/75/18/723537518.db2.gz XTASQRONNYOQGI-UHFFFAOYSA-N -1 1 351.200 3.259 20 10 FGCDMM CCOCCC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765750266 723537894 /nfs/dbraw/zinc/53/78/94/723537894.db2.gz FJWUKGVSMFJPKA-UHFFFAOYSA-N -1 1 356.260 3.368 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1COc2ccccc2C1 ZINC000765751524 723538123 /nfs/dbraw/zinc/53/81/23/723538123.db2.gz FNAJDFLKFFARGY-ZDUSSCGKSA-N -1 1 362.223 3.022 20 10 FGCDMM O=C(CSCc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000765770865 723539577 /nfs/dbraw/zinc/53/95/77/723539577.db2.gz RKDBMXBSCNBIOP-UHFFFAOYSA-N -1 1 367.268 3.099 20 10 FGCDMM CCC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCCC1 ZINC000771719253 723740770 /nfs/dbraw/zinc/74/07/70/723740770.db2.gz VJNBDKDOVHGIFP-UHFFFAOYSA-N -1 1 351.428 3.036 20 10 FGCDMM CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000798085354 723903191 /nfs/dbraw/zinc/90/31/91/723903191.db2.gz PKVXSSANNZIQET-AWEZNQCLSA-N -1 1 366.820 3.298 20 10 FGCDMM CN1C(=O)c2cc(Br)ccc2N[C@@H]1c1cccc(F)c1[O-] ZINC000778525302 724340459 /nfs/dbraw/zinc/34/04/59/724340459.db2.gz MQHKYQXIGQTKNM-AWEZNQCLSA-N -1 1 351.175 3.490 20 10 FGCDMM Cc1csc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1Br ZINC000784961501 724887206 /nfs/dbraw/zinc/88/72/06/724887206.db2.gz YCQJUXBNIFREGR-UHFFFAOYSA-N -1 1 371.208 3.270 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000789567434 725136756 /nfs/dbraw/zinc/13/67/56/725136756.db2.gz SFYUXWRIIYMMDD-DZGCQCFKSA-N -1 1 368.271 3.033 20 10 FGCDMM CN1CC[C@@H](NC(=O)c2c([O-])c(O)ccc2F)[C@@H]1c1ccc(Cl)cc1 ZINC000827492108 729430957 /nfs/dbraw/zinc/43/09/57/729430957.db2.gz UWEUTTAUCPYXEX-CJNGLKHVSA-N -1 1 364.804 3.066 20 10 FGCDMM CC1(C)CCC[C@@](O)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000834475912 729806805 /nfs/dbraw/zinc/80/68/05/729806805.db2.gz HWCYWSFZNJHHAZ-INIZCTEOSA-N -1 1 356.260 3.102 20 10 FGCDMM CC(C)NS(=O)(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000863984420 733021106 /nfs/dbraw/zinc/02/11/06/733021106.db2.gz FOJNTXBJZVWBQG-UHFFFAOYSA-N -1 1 372.849 3.484 20 10 FGCDMM COc1cccc2c1O[C@@H](c1cc(C)cc(Br)c1[O-])NC2=O ZINC000877843115 736734690 /nfs/dbraw/zinc/73/46/90/736734690.db2.gz NHRAAAHTTCEPOA-INIZCTEOSA-N -1 1 364.195 3.293 20 10 FGCDMM O=C1N[C@H](c2cccc(Br)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877859396 736737092 /nfs/dbraw/zinc/73/70/92/736737092.db2.gz ROEVDCPGZHLJDM-CYBMUJFWSA-N -1 1 355.138 3.287 20 10 FGCDMM CC(C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)ccc1O ZINC000882798783 737493455 /nfs/dbraw/zinc/49/34/55/737493455.db2.gz DIBXAUKTAXTVQR-UHFFFAOYSA-N -1 1 362.451 3.018 20 10 FGCDMM O=C(NCc1ccc2c(c1)OCCCO2)NCc1cccc(Cl)c1[O-] ZINC000892710986 740035653 /nfs/dbraw/zinc/03/56/53/740035653.db2.gz FHKZAEOPFQVBLP-UHFFFAOYSA-N -1 1 362.813 3.206 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000895195052 742386177 /nfs/dbraw/zinc/38/61/77/742386177.db2.gz MMUGDCMYKMXQSB-GDBMZVCRSA-N -1 1 361.829 3.160 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1nnc([C@@H]2CCCO2)o1 ZINC000905407396 744019890 /nfs/dbraw/zinc/01/98/90/744019890.db2.gz FLFCCXOZEHJADX-JTQLQIEISA-N -1 1 358.167 3.140 20 10 FGCDMM CC(C)[C@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000935662132 761916857 /nfs/dbraw/zinc/91/68/57/761916857.db2.gz BVHIHYWMRWCPJD-SMDDNHRTSA-N -1 1 356.260 3.222 20 10 FGCDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C2CC2)c(C)n1-c1ccccn1 ZINC000066637999 494373149 /nfs/dbraw/zinc/37/31/49/494373149.db2.gz KHAMEIJFXCEPLE-UHFFFAOYSA-N -1 1 368.466 3.008 20 10 FGCDMM Cc1nc(C2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)no1 ZINC000092787688 494747313 /nfs/dbraw/zinc/74/73/13/494747313.db2.gz OUGBOBUEQJXHKD-UHFFFAOYSA-N -1 1 352.778 3.025 20 10 FGCDMM CCOC1CC(CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277381298 496754899 /nfs/dbraw/zinc/75/48/99/496754899.db2.gz IGKGDBBKJIABIS-UHFFFAOYSA-N -1 1 371.275 3.159 20 10 FGCDMM CCCOc1ccc(CNCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c(O)c1 ZINC000278757985 497210461 /nfs/dbraw/zinc/21/04/61/497210461.db2.gz STCHPPLVBXZIBS-UHFFFAOYSA-N -1 1 356.382 3.255 20 10 FGCDMM C[C@@H]1C[C@]2(CCO1)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](C)O2 ZINC000366791792 499075934 /nfs/dbraw/zinc/07/59/34/499075934.db2.gz DETNBWWOZVWHHM-BWACUDIHSA-N -1 1 370.833 3.112 20 10 FGCDMM Cc1ncsc1C(=O)N1CCCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000367752631 499231057 /nfs/dbraw/zinc/23/10/57/499231057.db2.gz XZSHIYXKVWJBLD-UHFFFAOYSA-N -1 1 365.886 3.159 20 10 FGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833182061 604681105 /nfs/dbraw/zinc/68/11/05/604681105.db2.gz STGXUQJWKPRGII-LQJRIPTKSA-N -1 1 354.790 3.172 20 10 FGCDMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000186391375 712717557 /nfs/dbraw/zinc/71/75/57/712717557.db2.gz DOVWTRDQKQRAJS-SECBINFHSA-N -1 1 355.312 3.183 20 10 FGCDMM O=C(Nc1cc(I)ccc1[O-])C1=CC(=O)CS1 ZINC000748309243 722683986 /nfs/dbraw/zinc/68/39/86/722683986.db2.gz KBGIXCAMVLDSSG-UHFFFAOYSA-N -1 1 361.160 3.016 20 10 FGCDMM COC(=O)[C@@H]1CCCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781920493 724612683 /nfs/dbraw/zinc/61/26/83/724612683.db2.gz LEYMVSMHPSDFNC-AWEZNQCLSA-N -1 1 356.260 3.381 20 10 FGCDMM C[C@H](CSCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784298892 724840316 /nfs/dbraw/zinc/84/03/16/724840316.db2.gz VQBMCHRTLNHCPM-CYBMUJFWSA-N -1 1 360.431 3.393 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)N(C)C2CCCCC2)c1[O-] ZINC000750036562 722752590 /nfs/dbraw/zinc/75/25/90/722752590.db2.gz QYHBDEVTKJKTAD-UHFFFAOYSA-N -1 1 366.889 3.471 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ncc(C)s3)CC2)c1[O-] ZINC000750047467 722752738 /nfs/dbraw/zinc/75/27/38/722752738.db2.gz QRTUILIGUUZFRE-UHFFFAOYSA-N -1 1 365.886 3.335 20 10 FGCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000756875287 722971082 /nfs/dbraw/zinc/97/10/82/722971082.db2.gz VWUQQBHYLZJZDO-BLLLJJGKSA-N -1 1 351.443 3.196 20 10 FGCDMM CN(Cc1ccc(Br)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000789939933 723086827 /nfs/dbraw/zinc/08/68/27/723086827.db2.gz SFLUYMPCQZIFQN-UHFFFAOYSA-N -1 1 354.175 3.272 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)F)[C@H](C)C2)c1[O-] ZINC000762927993 723293474 /nfs/dbraw/zinc/29/34/74/723293474.db2.gz PCTLEHMUQYZAPG-SNVBAGLBSA-N -1 1 364.795 3.317 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c(Br)c1 ZINC000794593064 723533552 /nfs/dbraw/zinc/53/35/52/723533552.db2.gz QFRHGSRLGYWRQW-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM COCc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765726564 723535513 /nfs/dbraw/zinc/53/55/13/723535513.db2.gz HUJMDYOGLHGBCK-UHFFFAOYSA-N -1 1 350.212 3.231 20 10 FGCDMM COc1ccccc1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765729112 723535932 /nfs/dbraw/zinc/53/59/32/723535932.db2.gz YNBTVQIMNVYSGA-UHFFFAOYSA-N -1 1 364.239 3.412 20 10 FGCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000765731958 723535962 /nfs/dbraw/zinc/53/59/62/723535962.db2.gz NSVHLUYTZGTCAK-UHFFFAOYSA-N -1 1 354.175 3.232 20 10 FGCDMM [O-]c1c(Br)cccc1CNC(=S)NCCc1ccccc1 ZINC000765976215 723549351 /nfs/dbraw/zinc/54/93/51/723549351.db2.gz KIEBDPZKDUOEEP-UHFFFAOYSA-N -1 1 365.296 3.362 20 10 FGCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000766205945 723561126 /nfs/dbraw/zinc/56/11/26/723561126.db2.gz BGHGKXZOTOZJOM-UHFFFAOYSA-N -1 1 370.268 3.250 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1[O-] ZINC000797527243 723830644 /nfs/dbraw/zinc/83/06/44/723830644.db2.gz DWIXDALDJAKESZ-QHRIQVFBSA-N -1 1 367.873 3.407 20 10 FGCDMM O=S(=O)([N-]Cc1ccccc1O)c1c(Cl)cc(F)cc1Cl ZINC000797827196 723868190 /nfs/dbraw/zinc/86/81/90/723868190.db2.gz XNTQUNOEJWZFPM-UHFFFAOYSA-N -1 1 350.198 3.317 20 10 FGCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)ccc1O ZINC000776747678 724178797 /nfs/dbraw/zinc/17/87/97/724178797.db2.gz KBPYJGHGSLOGCA-UHFFFAOYSA-N -1 1 355.799 3.161 20 10 FGCDMM COc1ccc(O)c([C@H](C)NC(=O)c2cc(Cl)c([O-])c(OC)c2)c1 ZINC000785617179 724926080 /nfs/dbraw/zinc/92/60/80/724926080.db2.gz SBKNMAPZGVTJDQ-VIFPVBQESA-N -1 1 351.786 3.259 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000789567438 725136624 /nfs/dbraw/zinc/13/66/24/725136624.db2.gz SFYUXWRIIYMMDD-UKRRQHHQSA-N -1 1 368.271 3.033 20 10 FGCDMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(Cl)n1 ZINC000808114740 725184389 /nfs/dbraw/zinc/18/43/89/725184389.db2.gz GTYIXPOYLPNESG-UHFFFAOYSA-N -1 1 351.186 3.342 20 10 FGCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1cn(Cc2cccnc2)nn1 ZINC000809775786 725267851 /nfs/dbraw/zinc/26/78/51/725267851.db2.gz IZAWBQQIGCMCDN-UHFFFAOYSA-N -1 1 364.236 3.024 20 10 FGCDMM O=C(NCCO)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1Cl ZINC000811838261 725382632 /nfs/dbraw/zinc/38/26/32/725382632.db2.gz BAMFMTLDYMGRMZ-UHFFFAOYSA-N -1 1 373.211 3.172 20 10 FGCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1S(=O)(=O)N(C)C ZINC000816607073 727179789 /nfs/dbraw/zinc/17/97/89/727179789.db2.gz DWTASDRNMXYFOO-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c(F)cc1[N+](=O)[O-] ZINC000821192477 729067415 /nfs/dbraw/zinc/06/74/15/729067415.db2.gz UXOBCXHPLAFYAB-UHFFFAOYSA-N -1 1 360.750 3.202 20 10 FGCDMM O=C(Nc1ccc(C(=O)NC2CCCCC2)c([O-])c1)C1=CC(=O)CS1 ZINC000832623998 729722935 /nfs/dbraw/zinc/72/29/35/729722935.db2.gz JQHNPBVKVONOCT-UHFFFAOYSA-N -1 1 360.435 3.474 20 10 FGCDMM COC(=O)c1ccc(N2CCN(Cc3cccc(Cl)c3[O-])CC2)s1 ZINC000835056459 729853579 /nfs/dbraw/zinc/85/35/79/729853579.db2.gz JMJYDEPWZVXWGI-UHFFFAOYSA-N -1 1 366.870 3.216 20 10 FGCDMM COCCN(Cc1c(C)nn(C)c1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000835075058 729856714 /nfs/dbraw/zinc/85/67/14/729856714.db2.gz OJRCYUDHDYLXMQ-UHFFFAOYSA-N -1 1 355.841 3.184 20 10 FGCDMM CO[C@@](C)([C@H](C)NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000840424703 730144309 /nfs/dbraw/zinc/14/43/09/730144309.db2.gz QYUBNGIHPUFWFE-QFYYESIMSA-N -1 1 371.275 3.158 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]1c1ccco1 ZINC000840485040 730148347 /nfs/dbraw/zinc/14/83/47/730148347.db2.gz XVSDIYITJMRXAE-ZYHUDNBSSA-N -1 1 351.200 3.103 20 10 FGCDMM CO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])CC(C)C ZINC000841593200 730258954 /nfs/dbraw/zinc/25/89/54/730258954.db2.gz ZFNRQJAVDMUQFY-LBPRGKRZSA-N -1 1 359.264 3.015 20 10 FGCDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1Cl ZINC000848449923 731165956 /nfs/dbraw/zinc/16/59/56/731165956.db2.gz FIHQGNDMWQRIGP-UHFFFAOYSA-N -1 1 366.870 3.286 20 10 FGCDMM CO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000852656611 731613538 /nfs/dbraw/zinc/61/35/38/731613538.db2.gz KAPBDSJLWACEMR-CQSZACIVSA-N -1 1 371.275 3.159 20 10 FGCDMM O=S(=O)(NC1CC1)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000863987448 733022151 /nfs/dbraw/zinc/02/21/51/733022151.db2.gz YYDFUOVEYHNLCK-UHFFFAOYSA-N -1 1 370.833 3.238 20 10 FGCDMM C[C@H]1C[C@H](NCc2cc(Cl)cc(Br)c2[O-])c2ncnn21 ZINC000883165906 737531255 /nfs/dbraw/zinc/53/12/55/737531255.db2.gz OJIQJBHVUWKRMI-CPCISQLKSA-N -1 1 357.639 3.195 20 10 FGCDMM CC(=O)CCc1ccc(OCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890758421 739827871 /nfs/dbraw/zinc/82/78/71/739827871.db2.gz XIWGTILESHITPD-UHFFFAOYSA-N -1 1 361.825 3.262 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])c1nc(N2CCCC2)ncc1Cl ZINC000890758302 739828035 /nfs/dbraw/zinc/82/80/35/739828035.db2.gz VCILGYFYFWJMHX-UHFFFAOYSA-N -1 1 367.236 3.019 20 10 FGCDMM Cc1nc([C@@H]2CCOC2)sc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763414 739829148 /nfs/dbraw/zinc/82/91/48/739829148.db2.gz WCZDHDBPLYSPRB-LLVKDONJSA-N -1 1 352.843 3.244 20 10 FGCDMM Cc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1N1CCOCC1 ZINC000890763147 739829180 /nfs/dbraw/zinc/82/91/80/739829180.db2.gz PEBNBLQRYLTXRM-UHFFFAOYSA-N -1 1 360.841 3.121 20 10 FGCDMM O=C(NCc1ccnc(N2CCCC2)c1)NCc1cccc(Cl)c1[O-] ZINC000891741759 739933078 /nfs/dbraw/zinc/93/30/78/739933078.db2.gz RXFIHBQQZGQGCC-UHFFFAOYSA-N -1 1 360.845 3.040 20 10 FGCDMM O=C(NCc1nc2c(s1)CCCC2)NCc1cccc(Cl)c1[O-] ZINC000896661295 742579167 /nfs/dbraw/zinc/57/91/67/742579167.db2.gz NPUQXGUGXHBFMM-UHFFFAOYSA-N -1 1 351.859 3.380 20 10 FGCDMM CCCc1cc(C(=O)NCc2cccc(Br)c2[O-])cc(=O)[nH]1 ZINC000935662110 761916718 /nfs/dbraw/zinc/91/67/18/761916718.db2.gz BLXONUMUOFWFGO-UHFFFAOYSA-N -1 1 365.227 3.138 20 10 FGCDMM O=C(C[C@H]1CC[C@@H](C2CC2)O1)NCc1cccc(Br)c1[O-] ZINC000935662706 761916879 /nfs/dbraw/zinc/91/68/79/761916879.db2.gz INJUUQNGAFWRKA-OCCSQVGLSA-N -1 1 354.244 3.119 20 10 FGCDMM Cc1ccc(C=Cc2nc(SCC(=O)c3ccc([O-])c(O)c3)n[nH]2)o1 ZINC000913611277 757550558 /nfs/dbraw/zinc/55/05/58/757550558.db2.gz QZPRRRSTLZCSML-ALCCZGGFSA-N -1 1 357.391 3.263 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2cccc(Cl)c2Cl)C(=O)[N-]C1=S ZINC000920976627 758627352 /nfs/dbraw/zinc/62/73/52/758627352.db2.gz MOHRBBWXEVZYEN-RMKNXTFCSA-N -1 1 372.277 3.189 20 10 FGCDMM C[C@@H]1C[C@H](CCNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277443759 496774932 /nfs/dbraw/zinc/77/49/32/496774932.db2.gz MTMSIWYPYJQCFZ-VXGBXAGGSA-N -1 1 371.275 3.159 20 10 FGCDMM CCC[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277494926 496791024 /nfs/dbraw/zinc/79/10/24/496791024.db2.gz JRRPRXUEGCWSFY-DGCLKSJQSA-N -1 1 356.260 3.366 20 10 FGCDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000192726209 497196696 /nfs/dbraw/zinc/19/66/96/497196696.db2.gz LKTJGGHPEPBCCX-UHFFFAOYSA-N -1 1 367.839 3.348 20 10 FGCDMM CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000276574925 497604223 /nfs/dbraw/zinc/60/42/23/497604223.db2.gz KWUQLMCMPJUVFU-UHFFFAOYSA-N -1 1 373.428 3.011 20 10 FGCDMM CCn1ccnc1[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000281115846 498026288 /nfs/dbraw/zinc/02/62/88/498026288.db2.gz MEQASNKDGRXBEI-HNNXBMFYSA-N -1 1 360.414 3.253 20 10 FGCDMM COc1c([O-])c(CN[C@H](C)c2noc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000364755646 498129720 /nfs/dbraw/zinc/12/97/20/498129720.db2.gz BZDFOQVVGMCWQY-LLVKDONJSA-N -1 1 370.365 3.210 20 10 FGCDMM CO[C@@H]1CCC[C@@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000281452606 498156499 /nfs/dbraw/zinc/15/64/99/498156499.db2.gz CPNUFJLCXLHJEB-DGCLKSJQSA-N -1 1 356.260 3.366 20 10 FGCDMM CC[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1O ZINC000285775552 498197982 /nfs/dbraw/zinc/19/79/82/498197982.db2.gz TUYIREKCFQRQDV-MRXNPFEDSA-N -1 1 366.458 3.023 20 10 FGCDMM CCn1nc(C)c([N+](=O)[O-])c1NCc1cccc(Br)c1[O-] ZINC000281601833 498208763 /nfs/dbraw/zinc/20/87/63/498208763.db2.gz YEEZXJJKPJNGME-UHFFFAOYSA-N -1 1 355.192 3.200 20 10 FGCDMM [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000295432056 499016461 /nfs/dbraw/zinc/01/64/61/499016461.db2.gz TWAVTRYQJVVDPO-NSHDSACASA-N -1 1 350.825 3.102 20 10 FGCDMM COc1c(O)c(C[NH+]2CCC(O)(c3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000370478340 499224095 /nfs/dbraw/zinc/22/40/95/499224095.db2.gz UEJZIYPPKIYGGV-UHFFFAOYSA-N -1 1 372.421 3.101 20 10 FGCDMM COc1ccc(N(Cc2ccnc(-c3nnn[n-]3)c2)[C@H](C)C2CC2)cc1 ZINC000826209339 607520150 /nfs/dbraw/zinc/52/01/50/607520150.db2.gz XSUGAGLADVTRLE-CYBMUJFWSA-N -1 1 350.426 3.075 20 10 FGCDMM COc1ccc(N(Cc2ccnc(-c3nn[n-]n3)c2)[C@H](C)C2CC2)cc1 ZINC000826209339 607520153 /nfs/dbraw/zinc/52/01/53/607520153.db2.gz XSUGAGLADVTRLE-CYBMUJFWSA-N -1 1 350.426 3.075 20 10 FGCDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000833812805 605597597 /nfs/dbraw/zinc/59/75/97/605597597.db2.gz LROOWVJKENNVQW-QWRGUYRKSA-N -1 1 357.248 3.023 20 10 FGCDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000833812805 605597599 /nfs/dbraw/zinc/59/75/99/605597599.db2.gz LROOWVJKENNVQW-QWRGUYRKSA-N -1 1 357.248 3.023 20 10 FGCDMM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000833816564 605603366 /nfs/dbraw/zinc/60/33/66/605603366.db2.gz ZTZKQSXALWJADF-MNOVXSKESA-N -1 1 357.248 3.023 20 10 FGCDMM Clc1ccc(C2=CCN(c3ccc(Cl)c(-c4nnn[n-]4)n3)CC2)cn1 ZINC000826351755 608296676 /nfs/dbraw/zinc/29/66/76/608296676.db2.gz ZDNXAQHVARWPTB-UHFFFAOYSA-N -1 1 374.235 3.257 20 10 FGCDMM Clc1ccc(C2=CCN(c3ccc(Cl)c(-c4nn[n-]n4)n3)CC2)cn1 ZINC000826351755 608296678 /nfs/dbraw/zinc/29/66/78/608296678.db2.gz ZDNXAQHVARWPTB-UHFFFAOYSA-N -1 1 374.235 3.257 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000374300155 713911838 /nfs/dbraw/zinc/91/18/38/713911838.db2.gz DLHLLAKMJVKDTQ-INIZCTEOSA-N -1 1 363.845 3.162 20 10 FGCDMM COCCN(Cc1cc(C)cc(Br)c1[O-])CC(F)(F)F ZINC000781906131 724610397 /nfs/dbraw/zinc/61/03/97/724610397.db2.gz UNALCXQIYFQRCJ-UHFFFAOYSA-N -1 1 356.182 3.474 20 10 FGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2cccc(OC(F)(F)F)c2)n1 ZINC000783741197 724784646 /nfs/dbraw/zinc/78/46/46/724784646.db2.gz OFVIFFYCFTYRGS-UHFFFAOYSA-N -1 1 373.360 3.006 20 10 FGCDMM O=C(CSc1nnc(CCc2ccccc2)o1)c1ccc([O-])c(O)c1 ZINC000742461563 722557469 /nfs/dbraw/zinc/55/74/69/722557469.db2.gz VLZYHCOKZFVTCM-UHFFFAOYSA-N -1 1 356.403 3.241 20 10 FGCDMM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789991037 723091828 /nfs/dbraw/zinc/09/18/28/723091828.db2.gz XCJJWZNOSQZIPJ-UHFFFAOYSA-N -1 1 359.275 3.408 20 10 FGCDMM C/C=C\C[C@@H](NCc1cc(C)cc(Br)c1[O-])C(=O)OCC ZINC000763359963 723336651 /nfs/dbraw/zinc/33/66/51/723336651.db2.gz ULHREXUQXVXJCV-KXQLTZBTSA-N -1 1 356.260 3.451 20 10 FGCDMM NC(=O)[C@H](NCc1cccc(Cl)c1[O-])c1cccc(Br)c1 ZINC000793265742 723418884 /nfs/dbraw/zinc/41/88/84/723418884.db2.gz JIUIWYUZOJCIKA-CYBMUJFWSA-N -1 1 369.646 3.124 20 10 FGCDMM CC(C)CCOCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764767785 723443757 /nfs/dbraw/zinc/44/37/57/723443757.db2.gz NXWSUSZGGWUASO-UHFFFAOYSA-N -1 1 359.264 3.017 20 10 FGCDMM C[C@H](CC(F)(F)F)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764803628 723448289 /nfs/dbraw/zinc/44/82/89/723448289.db2.gz BDIWFNIYVLUNFQ-SSDOTTSWSA-N -1 1 355.154 3.295 20 10 FGCDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC000765303707 723504461 /nfs/dbraw/zinc/50/44/61/723504461.db2.gz SVVGQNLBLOSBAF-UHFFFAOYSA-N -1 1 350.216 3.488 20 10 FGCDMM CCOc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765752999 723538062 /nfs/dbraw/zinc/53/80/62/723538062.db2.gz LPMOQYVVIJPFBM-UHFFFAOYSA-N -1 1 350.212 3.483 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)c1ccc(Cl)s1 ZINC000765753722 723538184 /nfs/dbraw/zinc/53/81/84/723538184.db2.gz PNTKACMDPSWBGD-UHFFFAOYSA-N -1 1 374.643 3.369 20 10 FGCDMM CCCCn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765767858 723539406 /nfs/dbraw/zinc/53/94/06/723539406.db2.gz FFGNFZFHDPNHQV-UHFFFAOYSA-N -1 1 366.259 3.390 20 10 FGCDMM CCOc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765766034 723539513 /nfs/dbraw/zinc/53/95/13/723539513.db2.gz UXMCKCCSCMQQTF-UHFFFAOYSA-N -1 1 350.212 3.483 20 10 FGCDMM CCc1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766207632 723561253 /nfs/dbraw/zinc/56/12/53/723561253.db2.gz SDOCKNQHTOTQMX-UHFFFAOYSA-N -1 1 370.268 3.196 20 10 FGCDMM COc1ccc2c(c1)CCCN2Cn1[n-]c(-c2ccccn2)nc1=S ZINC000766338771 723569103 /nfs/dbraw/zinc/56/91/03/723569103.db2.gz DPIHTUPQQGSEKI-UHFFFAOYSA-N -1 1 353.451 3.422 20 10 FGCDMM CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@H](CC)CN1C(C)=O ZINC000769498232 723687365 /nfs/dbraw/zinc/68/73/65/723687365.db2.gz SFWHZCXAQPQWLW-LSDHHAIUSA-N -1 1 369.849 3.175 20 10 FGCDMM Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000770313626 723710988 /nfs/dbraw/zinc/71/09/88/723710988.db2.gz ZGHKSLWIIHHYLX-AWEZNQCLSA-N -1 1 350.806 3.333 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000775145055 723963627 /nfs/dbraw/zinc/96/36/27/723963627.db2.gz HOQHEJWIZFAAPI-ISVAXAHUSA-N -1 1 368.739 3.089 20 10 FGCDMM CC(C)c1nnc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000799632919 724072196 /nfs/dbraw/zinc/07/21/96/724072196.db2.gz KLODEHYGLKBJGB-UHFFFAOYSA-N -1 1 356.245 3.060 20 10 FGCDMM COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000776002528 724096119 /nfs/dbraw/zinc/09/61/19/724096119.db2.gz UDJOAZSOBHFFKM-QMTHXVAHSA-N -1 1 356.260 3.237 20 10 FGCDMM CS(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])c(F)c1 ZINC000808050040 725180926 /nfs/dbraw/zinc/18/09/26/725180926.db2.gz PZTKSOOJZRTFQF-UHFFFAOYSA-N -1 1 374.231 3.309 20 10 FGCDMM Cc1cc(Br)c([O-])c(CNCc2ncn(-c3ccccc3)n2)c1 ZINC000815162273 727047097 /nfs/dbraw/zinc/04/70/97/727047097.db2.gz HXFVPIOWXZHIKD-UHFFFAOYSA-N -1 1 373.254 3.334 20 10 FGCDMM Cc1cc(Cl)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1[N+](=O)[O-] ZINC000815406185 727070986 /nfs/dbraw/zinc/07/09/86/727070986.db2.gz XMDKNEDFVGBVAK-UHFFFAOYSA-N -1 1 365.725 3.008 20 10 FGCDMM O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC000825575271 729388145 /nfs/dbraw/zinc/38/81/45/729388145.db2.gz LJJYTQXGAZNXKC-LLVKDONJSA-N -1 1 364.804 3.147 20 10 FGCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1sccc1Cl ZINC000829957275 729525789 /nfs/dbraw/zinc/52/57/89/729525789.db2.gz DIXGKHFTFQQIHU-UHFFFAOYSA-N -1 1 356.900 3.480 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(n1)CCC2 ZINC000836752499 729968290 /nfs/dbraw/zinc/96/82/90/729968290.db2.gz ANQWADVHZCZYPC-UHFFFAOYSA-N -1 1 362.227 3.360 20 10 FGCDMM CO[C@](C)([C@@H](C)NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000840424704 730144302 /nfs/dbraw/zinc/14/43/02/730144302.db2.gz QYUBNGIHPUFWFE-QLJPJBMISA-N -1 1 371.275 3.158 20 10 FGCDMM C[C@@H](O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1F ZINC000846017908 730919085 /nfs/dbraw/zinc/91/90/85/730919085.db2.gz RGAHJAZUIVMCNM-RFAUZJTJSA-N -1 1 354.765 3.305 20 10 FGCDMM C[C@H](O)[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1F ZINC000846017903 730919166 /nfs/dbraw/zinc/91/91/66/730919166.db2.gz RGAHJAZUIVMCNM-BJOHPYRUSA-N -1 1 354.765 3.305 20 10 FGCDMM Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000848918649 731220531 /nfs/dbraw/zinc/22/05/31/731220531.db2.gz HEPGJOWHMYUTLT-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM Cc1cnc(OC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)nc1 ZINC000848924816 731220970 /nfs/dbraw/zinc/22/09/70/731220970.db2.gz BRVMGOPTMKWCGO-UHFFFAOYSA-N -1 1 351.809 3.327 20 10 FGCDMM Cc1cc(C(N)=O)cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000849307997 731245613 /nfs/dbraw/zinc/24/56/13/731245613.db2.gz LGRROIDBGICCHT-UHFFFAOYSA-N -1 1 362.451 3.032 20 10 FGCDMM C[C@@H](Nc1ccc(OCCS(C)(=O)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000850487328 731362269 /nfs/dbraw/zinc/36/22/69/731362269.db2.gz HQNSXZXJOMKCPR-LLVKDONJSA-N -1 1 371.405 3.267 20 10 FGCDMM C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1cc(Br)c(F)cc1[O-] ZINC000850498875 731364956 /nfs/dbraw/zinc/36/49/56/731364956.db2.gz FEURDYSQOUUHDE-UBJUHAIHSA-N -1 1 355.211 3.242 20 10 FGCDMM O=C(CC(F)(F)C(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000867831001 733522041 /nfs/dbraw/zinc/52/20/41/733522041.db2.gz MXMHHUVATZALHX-UHFFFAOYSA-N -1 1 362.092 3.359 20 10 FGCDMM COC(=O)[C@]1(C(=O)NCc2cccc(Cl)c2[O-])C[C@@H]1c1ccccc1 ZINC000890762406 739828758 /nfs/dbraw/zinc/82/87/58/739828758.db2.gz BPJZALRMGYQDJL-AUUYWEPGSA-N -1 1 359.809 3.009 20 10 FGCDMM O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NCc1cccc(Br)c1[O-] ZINC000935662704 761916434 /nfs/dbraw/zinc/91/64/34/761916434.db2.gz INJUUQNGAFWRKA-JSGCOSHPSA-N -1 1 354.244 3.119 20 10 FGCDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C(C)C)c(O)cc3C)cc12 ZINC000123892843 495202880 /nfs/dbraw/zinc/20/28/80/495202880.db2.gz TWBQJVOOLWCRHV-UHFFFAOYSA-N -1 1 374.466 3.215 20 10 FGCDMM CC[C@@H]1C[C@H](CC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277658220 496844004 /nfs/dbraw/zinc/84/40/04/496844004.db2.gz ZQFLRYCSUNDYIJ-DGCLKSJQSA-N -1 1 356.260 3.366 20 10 FGCDMM CC(=O)N1CCN(c2cccc(NCc3cccc(Cl)c3[O-])c2)CC1 ZINC000188763577 496901107 /nfs/dbraw/zinc/90/11/07/496901107.db2.gz OQWQGZYKZLSXDH-UHFFFAOYSA-N -1 1 359.857 3.326 20 10 FGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(NC(=O)C2CC2)cc1 ZINC000276612379 497612664 /nfs/dbraw/zinc/61/26/64/497612664.db2.gz PSCLGBCEODXVAJ-JTQLQIEISA-N -1 1 358.369 3.076 20 10 FGCDMM O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276666215 497624316 /nfs/dbraw/zinc/62/43/16/497624316.db2.gz YPTQYYQKZNEOTK-LBPRGKRZSA-N -1 1 361.344 3.111 20 10 FGCDMM CC[C@H](NCc1nnc2n1CCOC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000365152277 498325314 /nfs/dbraw/zinc/32/53/14/498325314.db2.gz BINCKQMKECUSGX-NSHDSACASA-N -1 1 357.241 3.062 20 10 FGCDMM Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000294256130 498635269 /nfs/dbraw/zinc/63/52/69/498635269.db2.gz NNRSQVSBLNOCKN-UHFFFAOYSA-N -1 1 368.811 3.450 20 10 FGCDMM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000366791795 499075538 /nfs/dbraw/zinc/07/55/38/499075538.db2.gz DETNBWWOZVWHHM-QFSBIZTOSA-N -1 1 370.833 3.112 20 10 FGCDMM O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000833193589 604467781 /nfs/dbraw/zinc/46/77/81/604467781.db2.gz DITRBKRDVFEVCP-OAHLLOKOSA-N -1 1 362.223 3.166 20 10 FGCDMM CCOc1ccc(C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])cc1 ZINC000833664119 605520071 /nfs/dbraw/zinc/52/00/71/605520071.db2.gz KVPFQJWVVOBQQZ-OAHLLOKOSA-N -1 1 363.841 3.477 20 10 FGCDMM CS(=O)(=O)c1ccccc1NCc1cccc(Br)c1[O-] ZINC000048796419 695889619 /nfs/dbraw/zinc/88/96/19/695889619.db2.gz WPOYPAUOOGIXCL-UHFFFAOYSA-N -1 1 356.241 3.170 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nc(C)cs3)CC2)c1[O-] ZINC000177254752 705615083 /nfs/dbraw/zinc/61/50/83/705615083.db2.gz VTSIFIIFOIJVPD-UHFFFAOYSA-N -1 1 365.886 3.335 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c(C)c1O ZINC000187060997 712731699 /nfs/dbraw/zinc/73/16/99/712731699.db2.gz WDEGLRRWWSMQPM-UHFFFAOYSA-N -1 1 350.396 3.335 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1O ZINC000192725293 712871923 /nfs/dbraw/zinc/87/19/23/712871923.db2.gz HJQOWNIWVPWTFA-UHFFFAOYSA-N -1 1 354.387 3.220 20 10 FGCDMM O=C(COC(=O)c1cc(Br)ccc1F)c1ccc([O-])c(O)c1 ZINC000782474470 724673126 /nfs/dbraw/zinc/67/31/26/724673126.db2.gz INPDIXHVQHTDTL-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM O=C(COC(=O)c1cccc(C(F)(F)F)c1F)c1ccc([O-])c(O)c1 ZINC000784045398 724815919 /nfs/dbraw/zinc/81/59/19/724815919.db2.gz ONOPXGPESASJOX-UHFFFAOYSA-N -1 1 358.243 3.295 20 10 FGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2cccc(C(F)(F)F)c2)n1 ZINC000747654026 722654805 /nfs/dbraw/zinc/65/48/05/722654805.db2.gz HROHTBOMOFYDQX-UHFFFAOYSA-N -1 1 357.361 3.126 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)CC(C)(C)C)CC2)c1[O-] ZINC000750036992 722752464 /nfs/dbraw/zinc/75/24/64/722752464.db2.gz UDOFJBYRKOSHKQ-UHFFFAOYSA-N -1 1 366.889 3.329 20 10 FGCDMM C[C@@H](N[C@H](C)c1cc(Br)cc(Cl)c1[O-])c1nncn1C ZINC000756533644 722966327 /nfs/dbraw/zinc/96/63/27/722966327.db2.gz JVPQVGKVOKVFJV-HTQZYQBOSA-N -1 1 359.655 3.348 20 10 FGCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000756875289 722971064 /nfs/dbraw/zinc/97/10/64/722971064.db2.gz VWUQQBHYLZJZDO-MLGOLLRUSA-N -1 1 351.443 3.196 20 10 FGCDMM COc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(C(F)(F)F)c1 ZINC000789974917 723090267 /nfs/dbraw/zinc/09/02/67/723090267.db2.gz XPOGYNYMAGSTQA-UHFFFAOYSA-N -1 1 359.275 3.194 20 10 FGCDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702964 723358697 /nfs/dbraw/zinc/35/86/97/723358697.db2.gz KZUBAODKCOBWHZ-UHFFFAOYSA-N -1 1 353.465 3.104 20 10 FGCDMM CC[C@H]1NC(=O)N(c2cccc(NCc3cccc(Cl)c3[O-])c2)C1=O ZINC000793359310 723429047 /nfs/dbraw/zinc/42/90/47/723429047.db2.gz VZQMLNCNAKEHRL-OAHLLOKOSA-N -1 1 359.813 3.493 20 10 FGCDMM O=C(NCCc1cccs1)NCc1cccc(Br)c1[O-] ZINC000764756893 723443061 /nfs/dbraw/zinc/44/30/61/723443061.db2.gz IYUJEOIXETVGTB-UHFFFAOYSA-N -1 1 355.257 3.258 20 10 FGCDMM C[C@H](Cc1ccco1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764761352 723443391 /nfs/dbraw/zinc/44/33/91/723443391.db2.gz LLXSNFYGKJRYMS-SNVBAGLBSA-N -1 1 353.216 3.178 20 10 FGCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000764806399 723448700 /nfs/dbraw/zinc/44/87/00/723448700.db2.gz PRFHURPFMQUWQB-VIFPVBQESA-N -1 1 355.154 3.295 20 10 FGCDMM CCOc1cccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765347827 723507308 /nfs/dbraw/zinc/50/73/08/723507308.db2.gz YEWXHTPJBPYRRM-UHFFFAOYSA-N -1 1 366.215 3.270 20 10 FGCDMM COCc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765731728 723536039 /nfs/dbraw/zinc/53/60/39/723536039.db2.gz LFVUPUVQGATYLV-UHFFFAOYSA-N -1 1 350.212 3.231 20 10 FGCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])n1cnc2ccccc21 ZINC000765737232 723536676 /nfs/dbraw/zinc/53/66/76/723536676.db2.gz SFDLLLNFPGHGGL-NSHDSACASA-N -1 1 374.238 3.382 20 10 FGCDMM Cc1ncc(/C=C/C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765757016 723538492 /nfs/dbraw/zinc/53/84/92/723538492.db2.gz PQEYLCWEBDKPPN-AATRIKPKSA-N -1 1 353.241 3.249 20 10 FGCDMM CC(C)(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000765756998 723538544 /nfs/dbraw/zinc/53/85/44/723538544.db2.gz PIHWLSURIOFAKV-UHFFFAOYSA-N -1 1 352.232 3.105 20 10 FGCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)c(OCc2cccnc2)c1 ZINC000766483259 723576253 /nfs/dbraw/zinc/57/62/53/723576253.db2.gz FUSJKYGFVVOKMF-CHHVJCJISA-N -1 1 358.444 3.158 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C\c1ccc2ccc(Br)cc2n1 ZINC000771519797 723736956 /nfs/dbraw/zinc/73/69/56/723736956.db2.gz IDLNRRXLULAGAG-WDZFZDKYSA-N -1 1 351.250 3.486 20 10 FGCDMM CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776014383 724097138 /nfs/dbraw/zinc/09/71/38/724097138.db2.gz RINMFNCTZAWZHB-QWHCGFSZSA-N -1 1 362.253 3.242 20 10 FGCDMM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786341098 724974117 /nfs/dbraw/zinc/97/41/17/724974117.db2.gz CJHSISHKFGUTBD-WRSAYESZSA-N -1 1 350.411 3.198 20 10 FGCDMM Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000811705346 725377293 /nfs/dbraw/zinc/37/72/93/725377293.db2.gz SODXWBGKWLVWPJ-UHFFFAOYSA-N -1 1 370.858 3.475 20 10 FGCDMM CS(C)(=O)=NS(=O)(=O)[N-]c1ccc(N=Nc2ccccc2)cc1 ZINC000821118538 729060131 /nfs/dbraw/zinc/06/01/31/729060131.db2.gz ASEOCLGTVJSWPN-UHFFFAOYSA-N -1 1 352.441 3.486 20 10 FGCDMM C[C@@H]1C[C@@H]1c1nnc2ccc(NCc3cccc(Br)c3[O-])nn21 ZINC000828032465 729438848 /nfs/dbraw/zinc/43/88/48/729438848.db2.gz WGNNTBXNCPRUJD-KOLCDFICSA-N -1 1 374.242 3.328 20 10 FGCDMM Cc1cc(Br)c([O-])c([C@H]2NC(=O)[C@H]3c4ccccc4CCN32)c1 ZINC000840822354 730179543 /nfs/dbraw/zinc/17/95/43/730179543.db2.gz TXZXCWIHHIYRCL-WBVHZDCISA-N -1 1 373.250 3.191 20 10 FGCDMM COc1c([O-])c(C[N@@H+]2C[C@@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000848928951 731222096 /nfs/dbraw/zinc/22/20/96/731222096.db2.gz QKFHSPFTDZRJGW-CYBMUJFWSA-N -1 1 350.415 3.233 20 10 FGCDMM O=C(COC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21)c1ccc([O-])c(O)c1 ZINC000859791232 732393580 /nfs/dbraw/zinc/39/35/80/732393580.db2.gz MOTFFLNWKZXXFV-OCBCSQNSSA-N -1 1 358.777 3.063 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(CN2CCCC2=O)cc1 ZINC000890757445 739827154 /nfs/dbraw/zinc/82/71/54/739827154.db2.gz DNKNPSGWYQKQHT-UHFFFAOYSA-N -1 1 358.825 3.098 20 10 FGCDMM O=C(Cc1ccc(NC(=O)C2CC2)cc1)NCc1cccc(Cl)c1[O-] ZINC000890759617 739827889 /nfs/dbraw/zinc/82/78/89/739827889.db2.gz FDRHUCRWLJFNHY-UHFFFAOYSA-N -1 1 358.825 3.253 20 10 FGCDMM COC(=O)C12CCC(C(=O)NCc3cccc(Cl)c3[O-])(CC1)CC2 ZINC000890759078 739827969 /nfs/dbraw/zinc/82/79/69/739827969.db2.gz BPNRGJHASUBRKY-UHFFFAOYSA-N -1 1 351.830 3.175 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000890763425 739828984 /nfs/dbraw/zinc/82/89/84/739828984.db2.gz WIZNVSHYZLOQNX-JTQLQIEISA-N -1 1 373.762 3.455 20 10 FGCDMM O=S(=O)(C[C@@H]1CCCC(F)(F)C1)NCc1cccc(Cl)c1[O-] ZINC000908330035 744279416 /nfs/dbraw/zinc/27/94/16/744279416.db2.gz WLHBVMYMGPPXRM-SNVBAGLBSA-N -1 1 353.818 3.291 20 10 FGCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])c1nccs1 ZINC000277428517 496769803 /nfs/dbraw/zinc/76/98/03/496769803.db2.gz LTHRVSXYJCXDCA-SECBINFHSA-N -1 1 370.272 3.214 20 10 FGCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C(C)(C)C)n1 ZINC000277501226 496794951 /nfs/dbraw/zinc/79/49/51/496794951.db2.gz KEWHCGNBPIGRQQ-UHFFFAOYSA-N -1 1 366.259 3.116 20 10 FGCDMM CC(C)(C)n1cc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277528484 496803384 /nfs/dbraw/zinc/80/33/84/496803384.db2.gz MGZWZDHLUMGPPJ-UHFFFAOYSA-N -1 1 352.232 3.036 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1Cl ZINC000279043614 497314782 /nfs/dbraw/zinc/31/47/82/497314782.db2.gz GHJMAMBTKVZETB-UHFFFAOYSA-N -1 1 371.842 3.426 20 10 FGCDMM CC(C)c1nn(C)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000280734004 497876804 /nfs/dbraw/zinc/87/68/04/497876804.db2.gz KTBYRYICUUCAMM-UHFFFAOYSA-N -1 1 367.247 3.333 20 10 FGCDMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)SC1=S ZINC000822361490 599310318 /nfs/dbraw/zinc/31/03/18/599310318.db2.gz CLYNQVGFCXZMJW-JYRVWZFOSA-N -1 1 369.431 3.174 20 10 FGCDMM Cc1ccccc1N1C(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)SC1=S ZINC000822361490 599310322 /nfs/dbraw/zinc/31/03/22/599310322.db2.gz CLYNQVGFCXZMJW-JYRVWZFOSA-N -1 1 369.431 3.174 20 10 FGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)cc1 ZINC000822240992 599379854 /nfs/dbraw/zinc/37/98/54/599379854.db2.gz IBAOTZKQYGVBRD-JYRVWZFOSA-N -1 1 369.431 3.174 20 10 FGCDMM Cc1ccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)cc1 ZINC000822240992 599379857 /nfs/dbraw/zinc/37/98/57/599379857.db2.gz IBAOTZKQYGVBRD-JYRVWZFOSA-N -1 1 369.431 3.174 20 10 FGCDMM CN(C[C@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1)C(=O)[O-] ZINC000739665603 602524689 /nfs/dbraw/zinc/52/46/89/602524689.db2.gz NOXFPEKAEQZKLL-CYBMUJFWSA-N -1 1 358.438 3.449 20 10 FGCDMM CN(C[C@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C1)C(=O)[O-] ZINC000739665603 602524690 /nfs/dbraw/zinc/52/46/90/602524690.db2.gz NOXFPEKAEQZKLL-CYBMUJFWSA-N -1 1 358.438 3.449 20 10 FGCDMM Cc1cc(Br)cc(C[N@H+](C)C2CCN(C(=O)[O-])CC2)c1O ZINC000833897100 605989388 /nfs/dbraw/zinc/98/93/88/605989388.db2.gz FAOUZPOSXJIDAH-UHFFFAOYSA-N -1 1 357.248 3.037 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2Br)ccc1O ZINC000148650552 704897014 /nfs/dbraw/zinc/89/70/14/704897014.db2.gz IHFNLIHCEFTIHT-UHFFFAOYSA-N -1 1 360.204 3.403 20 10 FGCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(Br)c(F)c1 ZINC000174646471 705512009 /nfs/dbraw/zinc/51/20/09/705512009.db2.gz DZEFNLOTKGWGIY-UHFFFAOYSA-N -1 1 374.187 3.118 20 10 FGCDMM O=C(NCc1cc(Br)ccc1O)c1c(F)ccc([O-])c1F ZINC000804737594 724547752 /nfs/dbraw/zinc/54/77/52/724547752.db2.gz MIEDQNPFYFRXLJ-UHFFFAOYSA-N -1 1 358.138 3.069 20 10 FGCDMM COc1ccc(N2CCN(C(=O)c3c([O-])cccc3Cl)CC2)cc1F ZINC000754038189 722924290 /nfs/dbraw/zinc/92/42/90/722924290.db2.gz LVTLDTPIFRGHLG-UHFFFAOYSA-N -1 1 364.804 3.156 20 10 FGCDMM C[C@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(F)cc(F)c1[O-] ZINC000756803558 722970257 /nfs/dbraw/zinc/97/02/57/722970257.db2.gz GZYYNLNBDWRVMN-NSHDSACASA-N -1 1 350.365 3.311 20 10 FGCDMM O=C(NCc1cc(Br)ccc1F)c1c([O-])c(O)ccc1F ZINC000789954321 723087708 /nfs/dbraw/zinc/08/77/08/723087708.db2.gz HHLVVPDPCCXAGM-UHFFFAOYSA-N -1 1 358.138 3.069 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000790416160 723137853 /nfs/dbraw/zinc/13/78/53/723137853.db2.gz ULNSCRRFVGJDNP-UHFFFAOYSA-N -1 1 369.826 3.180 20 10 FGCDMM C[C@@H](c1cccs1)c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000762195723 723224311 /nfs/dbraw/zinc/22/43/11/723224311.db2.gz QTWJLRLQXZGDHK-VIFPVBQESA-N -1 1 365.436 3.027 20 10 FGCDMM COc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765421778 723512020 /nfs/dbraw/zinc/51/20/20/723512020.db2.gz YCRRBKGYINATOK-UHFFFAOYSA-N -1 1 365.227 3.163 20 10 FGCDMM CC(C)Oc1cncc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765737680 723536836 /nfs/dbraw/zinc/53/68/36/723536836.db2.gz VMBSRQBTFLYHGF-UHFFFAOYSA-N -1 1 365.227 3.267 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccccc2)n[nH]1 ZINC000765754292 723538516 /nfs/dbraw/zinc/53/85/16/723538516.db2.gz UZDQHZQVPZDARR-UHFFFAOYSA-N -1 1 372.222 3.475 20 10 FGCDMM O=C(Cc1ccc2c(c1)COC2)NCc1cccc(Br)c1[O-] ZINC000765764620 723539263 /nfs/dbraw/zinc/53/92/63/723539263.db2.gz MXHAOUYFRPCVFC-UHFFFAOYSA-N -1 1 362.223 3.044 20 10 FGCDMM [O-]c1c(Br)cccc1CNC(=S)NCCc1cccs1 ZINC000765992362 723550539 /nfs/dbraw/zinc/55/05/39/723550539.db2.gz KACMGFOYDVXIJL-UHFFFAOYSA-N -1 1 371.325 3.423 20 10 FGCDMM CCc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766199818 723560954 /nfs/dbraw/zinc/56/09/54/723560954.db2.gz JIMAUHDJVRXZEB-UHFFFAOYSA-N -1 1 370.268 3.196 20 10 FGCDMM Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(N3CCCC3)c1)OCO2 ZINC000795617011 723602298 /nfs/dbraw/zinc/60/22/98/723602298.db2.gz QJWMTSMTHQZZEH-UHFFFAOYSA-N -1 1 360.435 3.125 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000775145054 723963695 /nfs/dbraw/zinc/96/36/95/723963695.db2.gz HOQHEJWIZFAAPI-AMIZOPFISA-N -1 1 368.739 3.089 20 10 FGCDMM CCOc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784585589 724865764 /nfs/dbraw/zinc/86/57/64/724865764.db2.gz LNZRYHIXYCAQLI-UHFFFAOYSA-N -1 1 350.754 3.190 20 10 FGCDMM Cc1cc(C[C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000805219400 725056921 /nfs/dbraw/zinc/05/69/21/725056921.db2.gz JFLDYZKDGAUMOR-QMMMGPOBSA-N -1 1 357.241 3.161 20 10 FGCDMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1c[nH]c2ccccc2c1=O ZINC000807837086 725171553 /nfs/dbraw/zinc/17/15/53/725171553.db2.gz AQYQXBDJXXFFMQ-UHFFFAOYSA-N -1 1 363.200 3.471 20 10 FGCDMM COc1ccccc1N(CCO)Cc1cccc(Br)c1[O-] ZINC000809792587 725268932 /nfs/dbraw/zinc/26/89/32/725268932.db2.gz BEBBKAWCJXQFHR-UHFFFAOYSA-N -1 1 352.228 3.162 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN[C@@H](C)c2noc(COC(C)C)n2)c1[O-] ZINC000810118646 725290116 /nfs/dbraw/zinc/29/01/16/725290116.db2.gz AGTAASJXYNJTKF-JTQLQIEISA-N -1 1 367.833 3.407 20 10 FGCDMM C[C@@H]1CN(Cc2cccc(Br)c2[O-])c2ccccc2C(=O)N1 ZINC000811509329 725370991 /nfs/dbraw/zinc/37/09/91/725370991.db2.gz PBIJOJPHVLJNOC-LLVKDONJSA-N -1 1 361.239 3.293 20 10 FGCDMM CCNC(=O)COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816522885 727171311 /nfs/dbraw/zinc/17/13/11/727171311.db2.gz SSKXWCSSLOWCEF-UHFFFAOYSA-N -1 1 352.793 3.312 20 10 FGCDMM CC(C)(C)OC(=O)Cn1cc(NCc2c([O-])ccc(Cl)c2F)cn1 ZINC000842717122 730535339 /nfs/dbraw/zinc/53/53/39/730535339.db2.gz UREWHCOQSIKPLO-UHFFFAOYSA-N -1 1 355.797 3.335 20 10 FGCDMM C[C@@H]1CCCc2ncc(C(=O)NCc3cccc(Br)c3[O-])n21 ZINC000846016955 730918950 /nfs/dbraw/zinc/91/89/50/730918950.db2.gz ZEZDERCGXITSJN-SNVBAGLBSA-N -1 1 364.243 3.179 20 10 FGCDMM CC[C@H](C)Oc1cccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000849309085 731245518 /nfs/dbraw/zinc/24/55/18/731245518.db2.gz AGCADWWKIVFGJL-LBPRGKRZSA-N -1 1 351.424 3.379 20 10 FGCDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(O)cc1OC(C)C)C1CCCC1 ZINC000849309617 731245565 /nfs/dbraw/zinc/24/55/65/731245565.db2.gz JPNSHEXMUWEAQV-KRWDZBQOSA-N -1 1 357.472 3.126 20 10 FGCDMM CC[C@H](NC(c1ccnn1C)c1ccnn1C)c1cccc(Cl)c1[O-] ZINC000858585706 732228902 /nfs/dbraw/zinc/22/89/02/732228902.db2.gz NABKZRCGUVXAHY-AWEZNQCLSA-N -1 1 359.861 3.343 20 10 FGCDMM CC(C)=CCSC[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864513309 733070347 /nfs/dbraw/zinc/07/03/47/733070347.db2.gz ZKYFEUMCBDPZHS-ZDUSSCGKSA-N -1 1 374.300 3.397 20 10 FGCDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])c(OCC(=O)N(C)C)c1 ZINC000883057299 737516530 /nfs/dbraw/zinc/51/65/30/737516530.db2.gz LAEBDXBJYNRXGR-UHFFFAOYSA-N -1 1 350.365 3.058 20 10 FGCDMM CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757744 739827478 /nfs/dbraw/zinc/82/74/78/739827478.db2.gz KFWSWJSOULNWIJ-AWEZNQCLSA-N -1 1 366.870 3.178 20 10 FGCDMM COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3O)C2)s1 ZINC000895359321 742402424 /nfs/dbraw/zinc/40/24/24/742402424.db2.gz QVQLQICPXFUWFX-SNVBAGLBSA-N -1 1 368.405 3.293 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895836685 742459732 /nfs/dbraw/zinc/45/97/32/742459732.db2.gz DUDGKZQEIKTMFU-GFCCVEGCSA-N -1 1 372.156 3.041 20 10 FGCDMM CCn1nc(C(=O)NCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000907756904 744235138 /nfs/dbraw/zinc/23/51/38/744235138.db2.gz ALJLMRYSBHDHBV-UHFFFAOYSA-N -1 1 364.243 3.179 20 10 FGCDMM CCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000277706801 496860773 /nfs/dbraw/zinc/86/07/73/496860773.db2.gz IKLJCTHCXJYOCD-UHFFFAOYSA-N -1 1 371.275 3.161 20 10 FGCDMM CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000293987646 498553946 /nfs/dbraw/zinc/55/39/46/498553946.db2.gz RTQMWLPPABHSCQ-FQEVSTJZSA-N -1 1 373.424 3.304 20 10 FGCDMM O=C(NCCCc1nccs1)NCc1cccc(Br)c1[O-] ZINC000290856756 498702134 /nfs/dbraw/zinc/70/21/34/498702134.db2.gz BEHKXBVSRBMAAH-UHFFFAOYSA-N -1 1 370.272 3.043 20 10 FGCDMM CCOc1ccc(C[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C(=O)[O-])cc1 ZINC000833664463 605520086 /nfs/dbraw/zinc/52/00/86/605520086.db2.gz SXTXWCYZYCMBFF-AWEZNQCLSA-N -1 1 363.841 3.477 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1[O-] ZINC000177018049 705600662 /nfs/dbraw/zinc/60/06/62/705600662.db2.gz XPGVQQLDVJDOGT-CVEARBPZSA-N -1 1 373.902 3.036 20 10 FGCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c2ccccc12 ZINC000182260703 705833025 /nfs/dbraw/zinc/83/30/25/705833025.db2.gz IJXDFKPLECKZRB-UHFFFAOYSA-N -1 1 356.403 3.305 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c(C)c1O ZINC000187059236 712731645 /nfs/dbraw/zinc/73/16/45/712731645.db2.gz JMRXWABJISEFOZ-UHFFFAOYSA-N -1 1 350.396 3.335 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000189425646 712794192 /nfs/dbraw/zinc/79/41/92/712794192.db2.gz IWCHMGBJMULNLE-UHFFFAOYSA-N -1 1 350.396 3.280 20 10 FGCDMM Cc1cc(Br)c([O-])c([C@@H]2NC(=O)CN2Cc2ccccc2)c1 ZINC000781558215 724574291 /nfs/dbraw/zinc/57/42/91/724574291.db2.gz QVKXDYAQGOEUOC-QGZVFWFLSA-N -1 1 361.239 3.094 20 10 FGCDMM O=C(CSc1ccc2c(c1)CCC2)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782096573 724628814 /nfs/dbraw/zinc/62/88/14/724628814.db2.gz KYQFJVVYSPXFQQ-UHFFFAOYSA-N -1 1 358.415 3.105 20 10 FGCDMM O=C(COc1cc(Cl)cc(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783927948 724804437 /nfs/dbraw/zinc/80/44/37/724804437.db2.gz OYLCWDIGIDBCAN-UHFFFAOYSA-N -1 1 371.172 3.210 20 10 FGCDMM O=C(CCCc1ccc(F)c(F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784099004 724820986 /nfs/dbraw/zinc/82/09/86/724820986.db2.gz OELSLINCBDALJA-UHFFFAOYSA-N -1 1 350.317 3.125 20 10 FGCDMM O=C(COC(=O)c1cc(-c2ccccc2)ns1)c1ccc([O-])c(O)c1 ZINC000784303554 724841038 /nfs/dbraw/zinc/84/10/38/724841038.db2.gz BNGBBRDRQFSFDC-UHFFFAOYSA-N -1 1 355.371 3.261 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000750045701 722752879 /nfs/dbraw/zinc/75/28/79/722752879.db2.gz VMHHUIRRJBGRSN-JSGCOSHPSA-N -1 1 351.752 3.136 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@H](C(F)(F)F)C2)c1[O-] ZINC000750056427 722753372 /nfs/dbraw/zinc/75/33/72/722753372.db2.gz HSCLXYNXHVFHMH-OQPBUACISA-N -1 1 351.752 3.400 20 10 FGCDMM C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756382059 722963681 /nfs/dbraw/zinc/96/36/81/722963681.db2.gz QPMNGMATSQIPRN-PSLIRLAXSA-N -1 1 367.218 3.171 20 10 FGCDMM C[C@H](NCc1nnc2n1CCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000756389069 722963795 /nfs/dbraw/zinc/96/37/95/722963795.db2.gz AMBHIANWTFMLPE-QMMMGPOBSA-N -1 1 371.666 3.197 20 10 FGCDMM COc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1NS(C)(=O)=O ZINC000756869071 722971015 /nfs/dbraw/zinc/97/10/15/722971015.db2.gz OGTVRYXAYUNSRR-SECBINFHSA-N -1 1 372.393 3.224 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)cc1C ZINC000761995907 723204692 /nfs/dbraw/zinc/20/46/92/723204692.db2.gz PHOSCLDRXVSEIA-UHFFFAOYSA-N -1 1 351.424 3.297 20 10 FGCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000762000301 723205153 /nfs/dbraw/zinc/20/51/53/723205153.db2.gz NQUYUJHYSVWXCJ-LBPRGKRZSA-N -1 1 363.435 3.304 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC1(Cl)Cl ZINC000764763353 723443488 /nfs/dbraw/zinc/44/34/88/723443488.db2.gz KQUDTDNQXVBLEM-MRVPVSSYSA-N -1 1 368.058 3.148 20 10 FGCDMM CCCCOCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764761548 723443524 /nfs/dbraw/zinc/44/35/24/723443524.db2.gz AXOIRDWOALGXOO-UHFFFAOYSA-N -1 1 359.264 3.161 20 10 FGCDMM CCCC[C@H](COC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764786070 723445757 /nfs/dbraw/zinc/44/57/57/723445757.db2.gz YWIPXUKEQVZRED-GFCCVEGCSA-N -1 1 359.264 3.159 20 10 FGCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1cccnc1 ZINC000765452463 723514408 /nfs/dbraw/zinc/51/44/08/723514408.db2.gz FJKVUOJNPGZCSM-JTQLQIEISA-N -1 1 350.216 3.110 20 10 FGCDMM C[C@@H](Sc1ccccn1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765728323 723535625 /nfs/dbraw/zinc/53/56/25/723535625.db2.gz HPEVZXPGUMULJE-SNVBAGLBSA-N -1 1 367.268 3.347 20 10 FGCDMM O=C(CCOc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765735080 723536722 /nfs/dbraw/zinc/53/67/22/723536722.db2.gz DNPHLSWQGXCXGA-UHFFFAOYSA-N -1 1 368.202 3.379 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000765755137 723538456 /nfs/dbraw/zinc/53/84/56/723538456.db2.gz GLRNUNDOFXJYED-UHFFFAOYSA-N -1 1 369.146 3.132 20 10 FGCDMM Cc1c(F)cccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200478 723560826 /nfs/dbraw/zinc/56/08/26/723560826.db2.gz LRWIJFBCKYJTIJ-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1CC ZINC000775573387 724001774 /nfs/dbraw/zinc/00/17/74/724001774.db2.gz IEXFYBUNIKBXIP-UHFFFAOYSA-N -1 1 362.451 3.141 20 10 FGCDMM COc1cc(C(=O)NCCCSc2nccs2)cc(Cl)c1[O-] ZINC000785592544 724923645 /nfs/dbraw/zinc/92/36/45/724923645.db2.gz WSEUEMDQCUSZIF-UHFFFAOYSA-N -1 1 358.872 3.423 20 10 FGCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1S(=O)(=O)N(C)C ZINC000809681758 725258222 /nfs/dbraw/zinc/25/82/22/725258222.db2.gz ZUZXDNNLKJFJMC-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM CCOC(=O)c1cc(NCc2cccc(Br)c2[O-])cn1C ZINC000809755152 725265481 /nfs/dbraw/zinc/26/54/81/725265481.db2.gz GCSWLHGUIGIIDU-UHFFFAOYSA-N -1 1 353.216 3.282 20 10 FGCDMM CCOCc1nc([C@H](C)NCc2cc(C)cc(Br)c2[O-])no1 ZINC000811516433 725372182 /nfs/dbraw/zinc/37/21/82/725372182.db2.gz UJCRBOYYLYDXBC-JTQLQIEISA-N -1 1 370.247 3.233 20 10 FGCDMM CC(C)C[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)[O-] ZINC000818628383 727317866 /nfs/dbraw/zinc/31/78/66/727317866.db2.gz UUFVMGFXXYFDCB-SNVBAGLBSA-N -1 1 363.241 3.245 20 10 FGCDMM C[C@H]1C[C@@H]1c1nnc2ccc(NCc3cccc(Br)c3[O-])nn21 ZINC000828032467 729438877 /nfs/dbraw/zinc/43/88/77/729438877.db2.gz WGNNTBXNCPRUJD-ONGXEEELSA-N -1 1 374.242 3.328 20 10 FGCDMM COc1ccc(NS(C)(=O)=O)cc1N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834886756 729842726 /nfs/dbraw/zinc/84/27/26/729842726.db2.gz BGHNAIQIMIKEBU-SECBINFHSA-N -1 1 372.393 3.224 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2n1CCCCC2 ZINC000857194845 732110650 /nfs/dbraw/zinc/11/06/50/732110650.db2.gz LAKPLNRFSXVEBX-UHFFFAOYSA-N -1 1 364.243 3.008 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000890761796 739828649 /nfs/dbraw/zinc/82/86/49/739828649.db2.gz YLDCNKFMLHPGBY-MNOVXSKESA-N -1 1 351.752 3.409 20 10 FGCDMM COc1ccc2c(c1)OCC[C@@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893238754 742128694 /nfs/dbraw/zinc/12/86/94/742128694.db2.gz PFTHZUGAGIIAQN-HNNXBMFYSA-N -1 1 362.813 3.377 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NCc1cccc2c1OCCCO2 ZINC000893763523 742195559 /nfs/dbraw/zinc/19/55/59/742195559.db2.gz TVTGRSKTSKFBGU-UHFFFAOYSA-N -1 1 362.813 3.206 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCOC2(CCSCC2)C1 ZINC000893763717 742195723 /nfs/dbraw/zinc/19/57/23/742195723.db2.gz WVMFIHWBVKTOII-ZDUSSCGKSA-N -1 1 370.902 3.290 20 10 FGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](n2ccnn2)C1 ZINC000895052792 742369152 /nfs/dbraw/zinc/36/91/52/742369152.db2.gz APXNEBNOCMUOEX-LBPRGKRZSA-N -1 1 371.666 3.237 20 10 FGCDMM C[C@H]1CCCc2nc(S(=O)(=O)[N-]c3cc(F)c(O)cc3Cl)cn21 ZINC000901963036 743687178 /nfs/dbraw/zinc/68/71/78/743687178.db2.gz OIKWTBKNKSUTGE-QMMMGPOBSA-N -1 1 359.810 3.079 20 10 FGCDMM O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590323 758102523 /nfs/dbraw/zinc/10/25/23/758102523.db2.gz NSAKPBWIGGKIGO-UHFFFAOYSA-N -1 1 362.765 3.140 20 10 FGCDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1 ZINC000918744088 758364148 /nfs/dbraw/zinc/36/41/48/758364148.db2.gz FBTOQYZFTBBQOD-UHFFFAOYSA-N -1 1 372.412 3.429 20 10 FGCDMM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])[C@H]2C1 ZINC000158371081 496687318 /nfs/dbraw/zinc/68/73/18/496687318.db2.gz RIPLBFQVSLPREV-PVAVHDDUSA-N -1 1 353.846 3.017 20 10 FGCDMM CCc1nn(C)c(Cl)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000277626627 496834230 /nfs/dbraw/zinc/83/42/30/496834230.db2.gz WULHJGCRKDITKC-UHFFFAOYSA-N -1 1 372.650 3.034 20 10 FGCDMM CCn1cnnc1[C@H]1CN([C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC000365525720 498512965 /nfs/dbraw/zinc/51/29/65/498512965.db2.gz DHTKULJIYSMUKM-ZUZCIYMTSA-N -1 1 371.268 3.445 20 10 FGCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000294804559 498811609 /nfs/dbraw/zinc/81/16/09/498811609.db2.gz IRLZIONSYOJHSZ-SNVBAGLBSA-N -1 1 373.384 3.012 20 10 FGCDMM CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007536 499754693 /nfs/dbraw/zinc/75/46/93/499754693.db2.gz QEGPYYQBTJFSGE-MSOLQXFVSA-N -1 1 362.445 3.099 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc(F)cc1 ZINC000823504997 599380580 /nfs/dbraw/zinc/38/05/80/599380580.db2.gz WSMHTJNUGYTYFE-GHXNOFRVSA-N -1 1 373.394 3.005 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccc(F)cc1 ZINC000823504997 599380583 /nfs/dbraw/zinc/38/05/83/599380583.db2.gz WSMHTJNUGYTYFE-GHXNOFRVSA-N -1 1 373.394 3.005 20 10 FGCDMM COC(=O)c1cc2ccccc2c(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000737676263 599935999 /nfs/dbraw/zinc/93/59/99/599935999.db2.gz DJZKREJVGJRDBO-LBPRGKRZSA-N -1 1 357.406 3.017 20 10 FGCDMM COC(=O)c1cc2ccccc2c(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000737676263 599936002 /nfs/dbraw/zinc/93/60/02/599936002.db2.gz DJZKREJVGJRDBO-LBPRGKRZSA-N -1 1 357.406 3.017 20 10 FGCDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000833816566 605602465 /nfs/dbraw/zinc/60/24/65/605602465.db2.gz ZTZKQSXALWJADF-WDEREUQCSA-N -1 1 357.248 3.023 20 10 FGCDMM CN(c1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1)C1CCCCC1 ZINC000826004378 608405463 /nfs/dbraw/zinc/40/54/63/608405463.db2.gz VJCVAHLRRXMZIA-UHFFFAOYSA-N -1 1 364.457 3.038 20 10 FGCDMM CN(c1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1)C1CCCCC1 ZINC000826004378 608405465 /nfs/dbraw/zinc/40/54/65/608405465.db2.gz VJCVAHLRRXMZIA-UHFFFAOYSA-N -1 1 364.457 3.038 20 10 FGCDMM CC(C)c1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000130274254 700798915 /nfs/dbraw/zinc/79/89/15/700798915.db2.gz HGXDWCGXPNSNHP-UHFFFAOYSA-N -1 1 365.436 3.428 20 10 FGCDMM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c(Cl)c1 ZINC000320676587 713811211 /nfs/dbraw/zinc/81/12/11/713811211.db2.gz NZYREZDNVMPFMH-UHFFFAOYSA-N -1 1 362.190 3.198 20 10 FGCDMM C[C@@H](NCc1cc(C(N)=O)co1)c1cc(Br)cc(Cl)c1[O-] ZINC000779069154 724387204 /nfs/dbraw/zinc/38/72/04/724387204.db2.gz MKSRXSPXGHXDJQ-SSDOTTSWSA-N -1 1 373.634 3.351 20 10 FGCDMM CCC(CC)C(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000750036120 722752403 /nfs/dbraw/zinc/75/24/03/722752403.db2.gz KXGWWIQRLZZWFP-UHFFFAOYSA-N -1 1 366.889 3.329 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1[O-] ZINC000790384405 723134138 /nfs/dbraw/zinc/13/41/38/723134138.db2.gz HGVUQOMFNIGVHO-FNFWKMNBSA-N -1 1 353.846 3.017 20 10 FGCDMM COC(C)(C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782671 723445299 /nfs/dbraw/zinc/44/52/99/723445299.db2.gz HFPIXJKPPIZUJG-SNVBAGLBSA-N -1 1 359.264 3.158 20 10 FGCDMM O=C(Cc1c(F)cccc1F)NCc1cccc(Br)c1[O-] ZINC000765728732 723535602 /nfs/dbraw/zinc/53/56/02/723535602.db2.gz LXZCMBXYVZYBJW-UHFFFAOYSA-N -1 1 356.166 3.292 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1Cc2ccccc2S1 ZINC000765730538 723536014 /nfs/dbraw/zinc/53/60/14/723536014.db2.gz CTDZXXJQAOIORY-CQSZACIVSA-N -1 1 364.264 3.488 20 10 FGCDMM Cc1nc(C(=O)NCc2cccc(Br)c2[O-])c2ccccn12 ZINC000765737157 723536609 /nfs/dbraw/zinc/53/66/09/723536609.db2.gz RBLCLRKOSDWDAY-UHFFFAOYSA-N -1 1 360.211 3.041 20 10 FGCDMM C[C@H]1CCCC[C@H]1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765747977 723537640 /nfs/dbraw/zinc/53/76/40/723537640.db2.gz SDHGXVZSJOGIIX-SMDDNHRTSA-N -1 1 356.260 3.366 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1OCCc2ccccc21 ZINC000765748600 723537714 /nfs/dbraw/zinc/53/77/14/723537714.db2.gz XQRZJCNYNZBSCR-INIZCTEOSA-N -1 1 362.223 3.085 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1COc2ccccc2C1 ZINC000765751522 723538253 /nfs/dbraw/zinc/53/82/53/723538253.db2.gz FNAJDFLKFFARGY-CYBMUJFWSA-N -1 1 362.223 3.022 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1noc2c1CCCCC2 ZINC000765768276 723539386 /nfs/dbraw/zinc/53/93/86/723539386.db2.gz ILRPXYZGUBLWQT-UHFFFAOYSA-N -1 1 365.227 3.342 20 10 FGCDMM Cc1cccc(C)c1NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765767911 723539522 /nfs/dbraw/zinc/53/95/22/723539522.db2.gz GCNJOJFTJUTPCP-UHFFFAOYSA-N -1 1 363.255 3.500 20 10 FGCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2F)c(C)c(C)c1O ZINC000775292271 723977711 /nfs/dbraw/zinc/97/77/11/723977711.db2.gz XJCIQBWYEDCNSF-UHFFFAOYSA-N -1 1 367.398 3.264 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3ccc(F)cn3)CC2)c1[O-] ZINC000775560042 724000317 /nfs/dbraw/zinc/00/03/17/724000317.db2.gz LXVGFDXAXUSEAU-UHFFFAOYSA-N -1 1 363.820 3.105 20 10 FGCDMM C[C@@H](NCc1ncnn1C(C)(C)C)c1cc(Br)cc(F)c1[O-] ZINC000800500635 724203914 /nfs/dbraw/zinc/20/39/14/724203914.db2.gz SNAYKUCJAACEKY-SECBINFHSA-N -1 1 371.254 3.491 20 10 FGCDMM COc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)ccc1F ZINC000786873800 725004586 /nfs/dbraw/zinc/00/45/86/725004586.db2.gz JGHGYRGDWLSVEC-UHFFFAOYSA-N -1 1 350.415 3.235 20 10 FGCDMM CCc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1O ZINC000813539799 726891784 /nfs/dbraw/zinc/89/17/84/726891784.db2.gz ZNYOMCXAKLVRMS-UHFFFAOYSA-N -1 1 350.212 3.353 20 10 FGCDMM CC(C)(C)OC(=O)Cn1cc(NCc2cc(Cl)cc(F)c2[O-])cn1 ZINC000843412905 730617036 /nfs/dbraw/zinc/61/70/36/730617036.db2.gz ZTFKZOYICIFDSX-UHFFFAOYSA-N -1 1 355.797 3.335 20 10 FGCDMM CO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000852656610 731613445 /nfs/dbraw/zinc/61/34/45/731613445.db2.gz KAPBDSJLWACEMR-AWEZNQCLSA-N -1 1 371.275 3.159 20 10 FGCDMM CC(C)(C)OC(=O)NCc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000864362730 733049606 /nfs/dbraw/zinc/04/96/06/733049606.db2.gz JQVLJLJSGUSCQN-XYOKQWHBSA-N -1 1 350.465 3.200 20 10 FGCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1c([O-])cccc1Br ZINC000877856527 736735873 /nfs/dbraw/zinc/73/58/73/736735873.db2.gz DLTDMNMXCWNPIH-CYBMUJFWSA-N -1 1 355.276 3.410 20 10 FGCDMM CN(Cc1nc2c(c(=O)[n-]1)COCC2)c1ccc(-c2nccs2)cc1 ZINC000878706652 736909778 /nfs/dbraw/zinc/90/97/78/736909778.db2.gz JOPYRUMCWIWRMU-UHFFFAOYSA-N -1 1 354.435 3.015 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@]12CCCO2 ZINC000883907818 737613967 /nfs/dbraw/zinc/61/39/67/737613967.db2.gz XFCAZTCVWWMARI-CJNGLKHVSA-N -1 1 369.259 3.056 20 10 FGCDMM C[C@H](CC(=O)NCc1cccc(Cl)c1[O-])NC(=O)C1CCCCC1 ZINC000890758317 739827784 /nfs/dbraw/zinc/82/77/84/739827784.db2.gz VJDNYHAPPQBMAZ-GFCCVEGCSA-N -1 1 352.862 3.137 20 10 FGCDMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759212 739827940 /nfs/dbraw/zinc/82/79/40/739827940.db2.gz GVOPMINLSKWCFU-GHMZBOCLSA-N -1 1 356.850 3.211 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])c1[nH]nc(C2CC2)c1Br ZINC000890758371 739827952 /nfs/dbraw/zinc/82/79/52/739827952.db2.gz WRATVNZYLHXOPN-UHFFFAOYSA-N -1 1 370.634 3.339 20 10 FGCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC2(CC1)OCCO2 ZINC000893920475 742213735 /nfs/dbraw/zinc/21/37/35/742213735.db2.gz AFTWKGNWVJGWKP-UHFFFAOYSA-N -1 1 362.651 3.147 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(CO)(C(F)(F)F)CC2)c1[O-] ZINC000897037123 742634404 /nfs/dbraw/zinc/63/44/04/742634404.db2.gz GFSSVBKHGFZTPT-UHFFFAOYSA-N -1 1 368.739 3.091 20 10 FGCDMM O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1cccc(Cl)c1[O-] ZINC000908326858 744279479 /nfs/dbraw/zinc/27/94/79/744279479.db2.gz DYQAWGFRSFJIDO-LLVKDONJSA-N -1 1 353.818 3.291 20 10 FGCDMM Cc1cccc(C(C)C)c1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000092225971 494814338 /nfs/dbraw/zinc/81/43/38/494814338.db2.gz SGIJCVXKDCVORY-UHFFFAOYSA-N -1 1 362.451 3.448 20 10 FGCDMM O=C(NCCC[C@@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277665233 496846012 /nfs/dbraw/zinc/84/60/12/496846012.db2.gz ZMELAPPWKDSYGR-ZDUSSCGKSA-N -1 1 371.275 3.303 20 10 FGCDMM C[C@H]1CCCC[C@@H]1c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273858541 496933960 /nfs/dbraw/zinc/93/39/60/496933960.db2.gz MCWUQPNEAHOMDB-JQWIXIFHSA-N -1 1 351.428 3.107 20 10 FGCDMM COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccc(Cl)c1 ZINC000290275010 498491449 /nfs/dbraw/zinc/49/14/49/498491449.db2.gz YINUYLTZRKIGTO-AWEZNQCLSA-N -1 1 366.801 3.440 20 10 FGCDMM Cc1nc([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)no1 ZINC000362385589 498506918 /nfs/dbraw/zinc/50/69/18/498506918.db2.gz CDVQKSKDAHCAJY-NSHDSACASA-N -1 1 352.232 3.226 20 10 FGCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O ZINC000290526219 498585561 /nfs/dbraw/zinc/58/55/61/498585561.db2.gz NKPOUSNAZMMVJZ-UHFFFAOYSA-N -1 1 366.395 3.026 20 10 FGCDMM COc1ccc(N2CCCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1 ZINC000368017574 499255404 /nfs/dbraw/zinc/25/54/04/499255404.db2.gz HQJXYDVDCBRKNO-UHFFFAOYSA-N -1 1 362.376 3.032 20 10 FGCDMM CC1(C)C[C@H](C(=O)NCc2cccc(Br)c2[O-])C(C)(C)O1 ZINC000529174777 504566976 /nfs/dbraw/zinc/56/69/76/504566976.db2.gz YGAUZFFNNRRERA-LLVKDONJSA-N -1 1 356.260 3.365 20 10 FGCDMM O=C([O-])C[N@H+](Cc1cccc2nsnc21)Cc1cc(Cl)ccc1[O-] ZINC000833249561 604474108 /nfs/dbraw/zinc/47/41/08/604474108.db2.gz YEHLNRIILASWNK-UHFFFAOYSA-N -1 1 363.826 3.137 20 10 FGCDMM O=C([O-])C[N@@H+](Cc1cccc2nsnc21)Cc1cc(Cl)ccc1[O-] ZINC000833249561 604474112 /nfs/dbraw/zinc/47/41/12/604474112.db2.gz YEHLNRIILASWNK-UHFFFAOYSA-N -1 1 363.826 3.137 20 10 FGCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000820120301 606504741 /nfs/dbraw/zinc/50/47/41/606504741.db2.gz AZEGWKGPHXQOSF-UHFFFAOYSA-N -1 1 370.482 3.045 20 10 FGCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000820120301 606504742 /nfs/dbraw/zinc/50/47/42/606504742.db2.gz AZEGWKGPHXQOSF-UHFFFAOYSA-N -1 1 370.482 3.045 20 10 FGCDMM CCN(Cc1ccc(N(C)C)cc1)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825435413 608190717 /nfs/dbraw/zinc/19/07/17/608190717.db2.gz XEGLBGUVWUBWRZ-UHFFFAOYSA-N -1 1 363.878 3.069 20 10 FGCDMM CCN(Cc1ccc(N(C)C)cc1)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825435413 608190719 /nfs/dbraw/zinc/19/07/19/608190719.db2.gz XEGLBGUVWUBWRZ-UHFFFAOYSA-N -1 1 363.878 3.069 20 10 FGCDMM CCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000161097374 705268761 /nfs/dbraw/zinc/26/87/61/705268761.db2.gz ZVJPIEBUBXFBRO-GFCCVEGCSA-N -1 1 352.283 3.098 20 10 FGCDMM CCc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1 ZINC000184862737 712677385 /nfs/dbraw/zinc/67/73/85/712677385.db2.gz YIBOHKMRDGDFAH-UHFFFAOYSA-N -1 1 359.407 3.043 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2ncc(Cl)n2C)c1 ZINC000781919541 724612636 /nfs/dbraw/zinc/61/26/36/724612636.db2.gz BYYPXOMEIURFFZ-UHFFFAOYSA-N -1 1 358.667 3.482 20 10 FGCDMM O=C(Cc1c[nH]c2ccc(Cl)cc12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783762358 724787236 /nfs/dbraw/zinc/78/72/36/724787236.db2.gz OPGAGODHWNUAFI-UHFFFAOYSA-N -1 1 359.765 3.201 20 10 FGCDMM Cc1ccc2c([O-])c(C(=O)NCCCSc3nccs3)cnc2n1 ZINC000734359095 722506448 /nfs/dbraw/zinc/50/64/48/722506448.db2.gz WLCNVUIUUBAFEL-UHFFFAOYSA-N -1 1 360.464 3.013 20 10 FGCDMM Cc1ccc2c(n1)[n-]cc(C(=O)NCCCSc1nccs1)c2=O ZINC000734359095 722506449 /nfs/dbraw/zinc/50/64/49/722506449.db2.gz WLCNVUIUUBAFEL-UHFFFAOYSA-N -1 1 360.464 3.013 20 10 FGCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000734483695 722507841 /nfs/dbraw/zinc/50/78/41/722507841.db2.gz QXIBIHPPTNCUOH-LZYBPNLTSA-N -1 1 372.471 3.354 20 10 FGCDMM COC(=O)c1ccc2nc(SCC(=O)c3ccc([O-])c(O)c3)oc2c1 ZINC000735234609 722513653 /nfs/dbraw/zinc/51/36/53/722513653.db2.gz NCLFKFXPIJAVKN-UHFFFAOYSA-N -1 1 359.359 3.001 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000743059004 722563585 /nfs/dbraw/zinc/56/35/85/722563585.db2.gz QCUBZMKZMLKAJZ-ZTFCMROMSA-N -1 1 355.868 3.387 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cscn3)CC2)c1[O-] ZINC000750038878 722752564 /nfs/dbraw/zinc/75/25/64/722752564.db2.gz LPGQWTFEIOZMCS-UHFFFAOYSA-N -1 1 365.886 3.023 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NCc2cccs2)c1[O-] ZINC000750045577 722752644 /nfs/dbraw/zinc/75/26/44/722752644.db2.gz UEHHZSDWGKJHTG-UHFFFAOYSA-N -1 1 366.870 3.058 20 10 FGCDMM COC(=O)COc1ccc(N(C)Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000753591709 722905894 /nfs/dbraw/zinc/90/58/94/722905894.db2.gz NYZAMFSFUKUWKN-UHFFFAOYSA-N -1 1 353.777 3.373 20 10 FGCDMM C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756382057 722963695 /nfs/dbraw/zinc/96/36/95/722963695.db2.gz QPMNGMATSQIPRN-BJOHPYRUSA-N -1 1 367.218 3.171 20 10 FGCDMM COc1cc(Br)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000760516481 723061046 /nfs/dbraw/zinc/06/10/46/723061046.db2.gz WCHDWECEPBWCTC-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM CN(Cc1ccccc1Br)C(=O)c1c([O-])c(O)ccc1F ZINC000789938973 723086470 /nfs/dbraw/zinc/08/64/70/723086470.db2.gz KDSRGZBXEOBBPL-UHFFFAOYSA-N -1 1 354.175 3.272 20 10 FGCDMM O=C(CCCNC(=O)c1c([O-])c(O)ccc1F)Nc1ccc(Cl)cc1 ZINC000789959648 723088305 /nfs/dbraw/zinc/08/83/05/723088305.db2.gz WJHOZIMZNVFVKY-UHFFFAOYSA-N -1 1 366.776 3.039 20 10 FGCDMM CN(CCCOc1cccc(Cl)c1)C(=O)c1c([O-])c(O)ccc1F ZINC000790068835 723102048 /nfs/dbraw/zinc/10/20/48/723102048.db2.gz DLVQNWUWQMPLNG-UHFFFAOYSA-N -1 1 353.777 3.431 20 10 FGCDMM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000761276487 723139055 /nfs/dbraw/zinc/13/90/55/723139055.db2.gz XTZAFGJAFYKLMH-UHFFFAOYSA-N -1 1 368.212 3.095 20 10 FGCDMM CCO[C@@H](CCNC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000764791942 723446194 /nfs/dbraw/zinc/44/61/94/723446194.db2.gz PVDZBGXGOCDRBZ-AWEZNQCLSA-N -1 1 373.291 3.405 20 10 FGCDMM C[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCCS1 ZINC000764796430 723447444 /nfs/dbraw/zinc/44/74/44/723447444.db2.gz DJRTVBUHVYGSQW-AWEZNQCLSA-N -1 1 359.289 3.240 20 10 FGCDMM CC(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])cc(=O)[nH]1 ZINC000765728784 723535678 /nfs/dbraw/zinc/53/56/78/723535678.db2.gz NTDFAWSHXUQEFM-UHFFFAOYSA-N -1 1 365.227 3.309 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(-n2cccn2)c1 ZINC000765737290 723536706 /nfs/dbraw/zinc/53/67/06/723536706.db2.gz UGSKTELURHSBDA-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc2ccncc21 ZINC000765747106 723537614 /nfs/dbraw/zinc/53/76/14/723537614.db2.gz LTYDLOFKPCGJFR-UHFFFAOYSA-N -1 1 358.195 3.028 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])C(F)(F)c1nccs1 ZINC000765747945 723537657 /nfs/dbraw/zinc/53/76/57/723537657.db2.gz RNJDYXJSOQBVOL-UHFFFAOYSA-N -1 1 363.183 3.019 20 10 FGCDMM O=C(NCc1cccc(Br)c1O)c1cc(Cl)ccc1[O-] ZINC000765753707 723538224 /nfs/dbraw/zinc/53/82/24/723538224.db2.gz PFCKZHNBOAXRSU-UHFFFAOYSA-N -1 1 356.603 3.444 20 10 FGCDMM CCCOc1cccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765754685 723538384 /nfs/dbraw/zinc/53/83/84/723538384.db2.gz VVDIMBYCHZKRJA-UHFFFAOYSA-N -1 1 365.227 3.269 20 10 FGCDMM CC(C)Oc1cc(C(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765757590 723538547 /nfs/dbraw/zinc/53/85/47/723538547.db2.gz RLVIPFSJTHBDHO-UHFFFAOYSA-N -1 1 365.227 3.267 20 10 FGCDMM CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769498230 723687369 /nfs/dbraw/zinc/68/73/69/723687369.db2.gz SFWHZCXAQPQWLW-GJZGRUSLSA-N -1 1 369.849 3.175 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1[O-] ZINC000797527242 723830334 /nfs/dbraw/zinc/83/03/34/723830334.db2.gz DWIXDALDJAKESZ-NQCMUKECSA-N -1 1 367.873 3.407 20 10 FGCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000775286508 723975967 /nfs/dbraw/zinc/97/59/67/723975967.db2.gz KLDKJGRHRMGTPH-CMDGGOBGSA-N -1 1 367.810 3.245 20 10 FGCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c(C)c(C)c1O ZINC000775291165 723976768 /nfs/dbraw/zinc/97/67/68/723976768.db2.gz CGBOLRQQEAGFHU-UHFFFAOYSA-N -1 1 367.398 3.264 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C\c1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000777464010 724228657 /nfs/dbraw/zinc/22/86/57/724228657.db2.gz LAHNGYYDOGREHI-XGICHPGQSA-N -1 1 369.393 3.439 20 10 FGCDMM CN1C(=O)c2cc(Br)ccc2N[C@H]1c1cccc(F)c1[O-] ZINC000778525304 724340549 /nfs/dbraw/zinc/34/05/49/724340549.db2.gz MQHKYQXIGQTKNM-CQSZACIVSA-N -1 1 351.175 3.490 20 10 FGCDMM COC(=O)[C@H](CC(F)(F)F)NCc1cc(C)cc(Br)c1[O-] ZINC000789579848 725137530 /nfs/dbraw/zinc/13/75/30/725137530.db2.gz KIPYPSUDFLFYLS-JTQLQIEISA-N -1 1 370.165 3.047 20 10 FGCDMM CC(C)Oc1ncccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000807416592 725160993 /nfs/dbraw/zinc/16/09/93/725160993.db2.gz JSDAIQOCTJKXHO-UHFFFAOYSA-N -1 1 365.227 3.267 20 10 FGCDMM Cc1ccc(CS(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000808309349 725193533 /nfs/dbraw/zinc/19/35/33/725193533.db2.gz JOQABNRSXBZUMT-UHFFFAOYSA-N -1 1 370.268 3.083 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(O)ccc1Cl ZINC000811459840 725366708 /nfs/dbraw/zinc/36/67/08/725366708.db2.gz PZABSCHTTVZNBW-UHFFFAOYSA-N -1 1 356.603 3.444 20 10 FGCDMM O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)C(F)(F)F ZINC000811514892 725371976 /nfs/dbraw/zinc/37/19/76/725371976.db2.gz RLPYGTOFNPABTF-VIFPVBQESA-N -1 1 368.758 3.075 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1nc2cc(Cl)ccn2n1 ZINC000811840422 725382665 /nfs/dbraw/zinc/38/26/65/725382665.db2.gz XPMQGTRDQQKNIH-UHFFFAOYSA-N -1 1 353.607 3.463 20 10 FGCDMM O=S(=O)(NC1CC1)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816570934 727176895 /nfs/dbraw/zinc/17/68/95/727176895.db2.gz MDIQDVBLTZGQQF-UHFFFAOYSA-N -1 1 370.833 3.238 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[C@H]1C1CCC1 ZINC000823770245 729303833 /nfs/dbraw/zinc/30/38/33/729303833.db2.gz NXUAJAXVQAELMY-STQMWFEESA-N -1 1 353.260 3.390 20 10 FGCDMM CC1(C)C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000836675598 729964609 /nfs/dbraw/zinc/96/46/09/729964609.db2.gz FYYLUHRXPDCTBC-NSHDSACASA-N -1 1 371.275 3.159 20 10 FGCDMM C[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])C[C@H]2C[C@H]2C1 ZINC000858889883 732256384 /nfs/dbraw/zinc/25/63/84/732256384.db2.gz GCRWPNKDEUPTJI-ATCWAGBWSA-N -1 1 353.260 3.390 20 10 FGCDMM COc1c([O-])c(CN[C@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000862432281 732834735 /nfs/dbraw/zinc/83/47/35/732834735.db2.gz XRBJPMNPSAPJJA-LLVKDONJSA-N -1 1 363.317 3.159 20 10 FGCDMM C[S@](=O)(=NS(=O)(=O)Nc1ccc([O-])c(Cl)c1)C1CCCCC1 ZINC000882712630 737481321 /nfs/dbraw/zinc/48/13/21/737481321.db2.gz FTGTXCMPTZGLBT-OAQYLSRUSA-N -1 1 366.892 3.133 20 10 FGCDMM CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757756 739827247 /nfs/dbraw/zinc/82/72/47/739827247.db2.gz KPKYXOFGZSXHKD-CQSZACIVSA-N -1 1 352.862 3.089 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCOC12CCCC2 ZINC000898758689 742829080 /nfs/dbraw/zinc/82/90/80/742829080.db2.gz CMTVEZJTKPRVLX-ZDUSSCGKSA-N -1 1 369.259 3.056 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000931865473 760986116 /nfs/dbraw/zinc/98/61/16/760986116.db2.gz JIZNHAISMDYLDK-JQWIXIFHSA-N -1 1 366.767 3.345 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000931865476 760986205 /nfs/dbraw/zinc/98/62/05/760986205.db2.gz JIZNHAISMDYLDK-PWSUYJOCSA-N -1 1 366.767 3.345 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000248534201 497031815 /nfs/dbraw/zinc/03/18/15/497031815.db2.gz JCBRTZUTCDDTBK-XZJROXQQSA-N -1 1 351.830 3.466 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1[O-] ZINC000248534201 497031817 /nfs/dbraw/zinc/03/18/17/497031817.db2.gz JCBRTZUTCDDTBK-XZJROXQQSA-N -1 1 351.830 3.466 20 10 FGCDMM Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000191331183 497782776 /nfs/dbraw/zinc/78/27/76/497782776.db2.gz UAEOEHCWQLBNNK-NSHDSACASA-N -1 1 350.825 3.102 20 10 FGCDMM CC[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1O ZINC000285775550 498197902 /nfs/dbraw/zinc/19/79/02/498197902.db2.gz TUYIREKCFQRQDV-INIZCTEOSA-N -1 1 366.458 3.023 20 10 FGCDMM Cc1nc2ccccc2n1C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295228380 498949518 /nfs/dbraw/zinc/94/95/18/498949518.db2.gz WOXWSCTYVQSMTC-UHFFFAOYSA-N -1 1 369.396 3.372 20 10 FGCDMM c1ccc2c(c1)nnc(-c1nnn[n-]1)c2NCc1ccc(N2CCCC2)cc1 ZINC000738436427 598936974 /nfs/dbraw/zinc/93/69/74/598936974.db2.gz IDAIRJRQBHQQQK-UHFFFAOYSA-N -1 1 372.436 3.022 20 10 FGCDMM c1ccc2c(c1)nnc(-c1nn[n-]n1)c2NCc1ccc(N2CCCC2)cc1 ZINC000738436427 598936976 /nfs/dbraw/zinc/93/69/76/598936976.db2.gz IDAIRJRQBHQQQK-UHFFFAOYSA-N -1 1 372.436 3.022 20 10 FGCDMM O=C([O-])C[N@H+](CCOc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000739793375 600143414 /nfs/dbraw/zinc/14/34/14/600143414.db2.gz HMXHYDJLOVOEMP-UHFFFAOYSA-N -1 1 353.777 3.150 20 10 FGCDMM O=C([O-])C[N@@H+](CCOc1ccccc1F)Cc1cc(Cl)ccc1[O-] ZINC000739793375 600143416 /nfs/dbraw/zinc/14/34/16/600143416.db2.gz HMXHYDJLOVOEMP-UHFFFAOYSA-N -1 1 353.777 3.150 20 10 FGCDMM O=C(CSc1nncn1-c1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000007318909 695566688 /nfs/dbraw/zinc/56/66/88/695566688.db2.gz SBWASJIOYUFMRI-UHFFFAOYSA-N -1 1 361.810 3.307 20 10 FGCDMM O=C(Cc1ccc(Cl)cn1)NCc1cccc(Br)c1[O-] ZINC000803213385 724437185 /nfs/dbraw/zinc/43/71/85/724437185.db2.gz SCDZXCZVNBTDCY-UHFFFAOYSA-N -1 1 355.619 3.062 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2C(=O)OC(C)C)c1 ZINC000781906969 724610422 /nfs/dbraw/zinc/61/04/22/724610422.db2.gz AUJPJVMISVTDHD-AWEZNQCLSA-N -1 1 356.260 3.379 20 10 FGCDMM COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753014542 722881486 /nfs/dbraw/zinc/88/14/86/722881486.db2.gz AVMUUCSSGPCYNP-UHFFFAOYSA-N -1 1 363.769 3.442 20 10 FGCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1 ZINC000755985630 722959382 /nfs/dbraw/zinc/95/93/82/722959382.db2.gz OYDNHFCRIIBOAY-UHFFFAOYSA-N -1 1 363.435 3.411 20 10 FGCDMM CC(C)(C)OC(=O)N1CCc2cccc(C=C3SC(=S)[N-]C3=O)c21 ZINC000757525977 722976729 /nfs/dbraw/zinc/97/67/29/722976729.db2.gz JPRQOHDJPBKTKQ-XFXZXTDPSA-N -1 1 362.476 3.473 20 10 FGCDMM CN(Cc1ccccc1OC(F)(F)F)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789952990 723087704 /nfs/dbraw/zinc/08/77/04/723087704.db2.gz LXCOSJFYHONJPW-UHFFFAOYSA-N -1 1 359.275 3.408 20 10 FGCDMM C[C@@H](Cc1ccccc1Br)NC(=O)c1c([O-])c(O)ccc1F ZINC000789990766 723091659 /nfs/dbraw/zinc/09/16/59/723091659.db2.gz VTKPOPXRMONTGB-VIFPVBQESA-N -1 1 368.202 3.360 20 10 FGCDMM O=C(NCCc1csc(-c2ccccc2)n1)c1c(F)ccc(O)c1[O-] ZINC000789988523 723091968 /nfs/dbraw/zinc/09/19/68/723091968.db2.gz FDXKCTQTKQPGEP-UHFFFAOYSA-N -1 1 358.394 3.333 20 10 FGCDMM CCOc1ccc(Cl)cc1CCNC(=O)c1c([O-])c(O)ccc1F ZINC000789995386 723092412 /nfs/dbraw/zinc/09/24/12/723092412.db2.gz OMCFVJDIQSIZBN-UHFFFAOYSA-N -1 1 353.777 3.262 20 10 FGCDMM O=C(NCCc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000764756899 723443051 /nfs/dbraw/zinc/44/30/51/723443051.db2.gz IZVQNTUKGOGRLI-UHFFFAOYSA-N -1 1 367.218 3.336 20 10 FGCDMM CC(C)(C)SCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764767334 723443879 /nfs/dbraw/zinc/44/38/79/723443879.db2.gz ASHPMOATRKYAKT-UHFFFAOYSA-N -1 1 361.305 3.486 20 10 FGCDMM CCOc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751203 723538099 /nfs/dbraw/zinc/53/80/99/723538099.db2.gz ACRMRBXCEVGPGT-UHFFFAOYSA-N -1 1 350.212 3.483 20 10 FGCDMM CC(C)Oc1cccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765766841 723539426 /nfs/dbraw/zinc/53/94/26/723539426.db2.gz CSRVSRPNZXBNTO-UHFFFAOYSA-N -1 1 365.227 3.267 20 10 FGCDMM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000769862628 723698080 /nfs/dbraw/zinc/69/80/80/723698080.db2.gz NYLZQFMCYKHCJT-UHFFFAOYSA-N -1 1 370.224 3.287 20 10 FGCDMM CN1CCN(c2ccc(/C=C/c3ncc(/C=C/C(=O)[O-])s3)cc2)CC1 ZINC000771524330 723736969 /nfs/dbraw/zinc/73/69/69/723736969.db2.gz IHYUVFWOQHFFMT-QDJBHUIFSA-N -1 1 355.463 3.163 20 10 FGCDMM O=C(COC(=O)c1ncsc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000784855727 724880688 /nfs/dbraw/zinc/88/06/88/724880688.db2.gz PEUOLMYBGCSQAP-UHFFFAOYSA-N -1 1 355.371 3.261 20 10 FGCDMM O=C(Cc1n[nH]c2c1CCCC2)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838440 725171756 /nfs/dbraw/zinc/17/17/56/725171756.db2.gz RQHWQKWCJHVXOD-UHFFFAOYSA-N -1 1 354.237 3.160 20 10 FGCDMM C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000809769124 725266999 /nfs/dbraw/zinc/26/69/99/725266999.db2.gz HHRMBKYFJSFAKN-KWBADKCTSA-N -1 1 364.795 3.323 20 10 FGCDMM CN(C)c1ncn(-c2cccc(NCc3c([O-])ccc(Cl)c3F)c2)n1 ZINC000810156729 725293724 /nfs/dbraw/zinc/29/37/24/725293724.db2.gz RIDSQKURJMCRRF-UHFFFAOYSA-N -1 1 361.808 3.444 20 10 FGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000824636100 729352185 /nfs/dbraw/zinc/35/21/85/729352185.db2.gz LUTZRTJEJIWGCY-CRAIPNDOSA-N -1 1 353.796 3.485 20 10 FGCDMM COc1ccc(NS(C)(=O)=O)cc1N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834886757 729842906 /nfs/dbraw/zinc/84/29/06/729842906.db2.gz BGHNAIQIMIKEBU-VIFPVBQESA-N -1 1 372.393 3.224 20 10 FGCDMM CCc1nnc([C@@H](C)NCc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000883078406 737519214 /nfs/dbraw/zinc/51/92/14/737519214.db2.gz QDZIGVIDFVMZDM-SSDOTTSWSA-N -1 1 359.655 3.339 20 10 FGCDMM CC(C)(C)c1nnc(CNC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000893634888 742178931 /nfs/dbraw/zinc/17/89/31/742178931.db2.gz ZDDISKGSXNRQPM-UHFFFAOYSA-N -1 1 354.863 3.194 20 10 FGCDMM CC(C)(C)OC(=O)CCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893997648 742224470 /nfs/dbraw/zinc/22/44/70/742224470.db2.gz QCXMZBPXQNHPAH-UHFFFAOYSA-N -1 1 356.850 3.357 20 10 FGCDMM Cc1nn(C)c(NC(=O)NCc2cccc(Cl)c2[O-])c1C(F)(F)F ZINC000931368064 760844097 /nfs/dbraw/zinc/84/40/97/760844097.db2.gz DYVXOXZRWSDKCI-UHFFFAOYSA-N -1 1 362.739 3.428 20 10 FGCDMM CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093711990 494913797 /nfs/dbraw/zinc/91/37/97/494913797.db2.gz GSQLBPNINXEGCL-XMMPIXPASA-N -1 1 368.842 3.323 20 10 FGCDMM CC[C@@H](NCc1nnc2n1CCCC2)c1cc(Br)ccc1O ZINC000158103442 496628246 /nfs/dbraw/zinc/62/82/46/496628246.db2.gz FUYJOKXRRMJHKU-CYBMUJFWSA-N -1 1 365.275 3.323 20 10 FGCDMM CC(C)[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277272369 497792448 /nfs/dbraw/zinc/79/24/48/497792448.db2.gz AEPPMZLZPBCWQD-GXTWGEPZSA-N -1 1 371.275 3.158 20 10 FGCDMM COc1cccc(-n2cc(CN[C@@H](C)c3ccc(F)c(F)c3[O-])nn2)c1 ZINC000364794153 498146004 /nfs/dbraw/zinc/14/60/04/498146004.db2.gz QZSRLSPYDSMARH-NSHDSACASA-N -1 1 360.364 3.111 20 10 FGCDMM CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000376212578 499591507 /nfs/dbraw/zinc/59/15/07/499591507.db2.gz UURUKNTWTWDQFT-CVEARBPZSA-N -1 1 367.287 3.130 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000528077978 504062246 /nfs/dbraw/zinc/06/22/46/504062246.db2.gz ITIKLYDCHIHCCM-WZRBSPASSA-N -1 1 353.260 3.390 20 10 FGCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000736467704 600609763 /nfs/dbraw/zinc/60/97/63/600609763.db2.gz CFZSIKHKOQIOKV-UHFFFAOYSA-N -1 1 357.406 3.014 20 10 FGCDMM CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1[O-] ZINC000825946783 601389783 /nfs/dbraw/zinc/38/97/83/601389783.db2.gz PYBXTRYWDXZKCZ-CYBMUJFWSA-N -1 1 359.397 3.457 20 10 FGCDMM CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1[O-] ZINC000825946783 601389785 /nfs/dbraw/zinc/38/97/85/601389785.db2.gz PYBXTRYWDXZKCZ-CYBMUJFWSA-N -1 1 359.397 3.457 20 10 FGCDMM C[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739185185 603392676 /nfs/dbraw/zinc/39/26/76/603392676.db2.gz NYHRZRBPVZKBCQ-SWLSCSKDSA-N -1 1 358.438 3.495 20 10 FGCDMM C[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC[C@H]1NC(=O)[O-] ZINC000739185185 603392678 /nfs/dbraw/zinc/39/26/78/603392678.db2.gz NYHRZRBPVZKBCQ-SWLSCSKDSA-N -1 1 358.438 3.495 20 10 FGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](NC(=O)[O-])C[C@H]2C)c1 ZINC000833897402 605912538 /nfs/dbraw/zinc/91/25/38/605912538.db2.gz JYPCNBXGONBEOZ-PWSUYJOCSA-N -1 1 357.248 3.084 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1c1ccccc1 ZINC000823504200 606389949 /nfs/dbraw/zinc/38/99/49/606389949.db2.gz NCSPWGUKNJAEHV-XYOKQWHBSA-N -1 1 371.472 3.334 20 10 FGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccccc1OC(F)(F)F ZINC000033605479 695751002 /nfs/dbraw/zinc/75/10/02/695751002.db2.gz WQOOWBLDQAMHEP-UHFFFAOYSA-N -1 1 351.277 3.231 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1F ZINC000111995466 700553321 /nfs/dbraw/zinc/55/33/21/700553321.db2.gz WBSXRQLSNYJGPX-UHFFFAOYSA-N -1 1 350.415 3.235 20 10 FGCDMM O=S(=O)([N-]CCCSc1nccs1)c1ccc(F)c(F)c1F ZINC000117365268 700603114 /nfs/dbraw/zinc/60/31/14/700603114.db2.gz AAKFJNVCEFFAJP-UHFFFAOYSA-N -1 1 368.427 3.021 20 10 FGCDMM CCCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000160775494 705261165 /nfs/dbraw/zinc/26/11/65/705261165.db2.gz PAWLZYFRGFDTIV-ZDUSSCGKSA-N -1 1 366.310 3.488 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Br)c(F)c2)ccc1O ZINC000225613114 713572109 /nfs/dbraw/zinc/57/21/09/713572109.db2.gz AGCIYXRSXUPEEK-UHFFFAOYSA-N -1 1 360.204 3.403 20 10 FGCDMM O=C(COC(=O)c1cccnc1SC(F)(F)F)c1ccc([O-])c(O)c1 ZINC000783184488 724733314 /nfs/dbraw/zinc/73/33/14/724733314.db2.gz LANXTKVEQFPPML-UHFFFAOYSA-N -1 1 373.308 3.144 20 10 FGCDMM O=C(COC(=O)c1ccc(Br)c(F)c1)c1ccc([O-])c(O)c1 ZINC000783237744 724740934 /nfs/dbraw/zinc/74/09/34/724740934.db2.gz BIMNKVRUGUQCFI-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM C[C@@H](Oc1ccc(F)cc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783660070 724775926 /nfs/dbraw/zinc/77/59/26/724775926.db2.gz PSFCADQSIFVQDU-SECBINFHSA-N -1 1 368.744 3.084 20 10 FGCDMM O=C(COC(=O)c1ccc2ccc(Cl)cc2n1)c1ccc([O-])c(O)c1 ZINC000784067201 724818075 /nfs/dbraw/zinc/81/80/75/724818075.db2.gz XAYAFDFIQCTVDQ-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM CNC(=O)CCOc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757594639 722977374 /nfs/dbraw/zinc/97/73/74/722977374.db2.gz QVAQWRVVWHLXRI-LLVKDONJSA-N -1 1 350.365 3.358 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000790410864 723136643 /nfs/dbraw/zinc/13/66/43/723136643.db2.gz DWSHSQCBCUBSHW-UHFFFAOYSA-N -1 1 358.419 3.312 20 10 FGCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC000764763414 723443528 /nfs/dbraw/zinc/44/35/28/723443528.db2.gz VKJCBCXNQPCEAE-SNVBAGLBSA-N -1 1 350.216 3.110 20 10 FGCDMM Cc1csc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764780872 723444933 /nfs/dbraw/zinc/44/49/33/723444933.db2.gz TUJXDKHNWDTIAT-SECBINFHSA-N -1 1 370.272 3.480 20 10 FGCDMM COC(C)(C)C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764782670 723445372 /nfs/dbraw/zinc/44/53/72/723445372.db2.gz HFPIXJKPPIZUJG-JTQLQIEISA-N -1 1 359.264 3.158 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2nccn2c1 ZINC000765292314 723503190 /nfs/dbraw/zinc/50/31/90/723503190.db2.gz DOFAOQZKPKQZJD-UHFFFAOYSA-N -1 1 361.199 3.124 20 10 FGCDMM COCc1csc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765301615 723504222 /nfs/dbraw/zinc/50/42/22/723504222.db2.gz DCVKPORDEBUCGA-UHFFFAOYSA-N -1 1 372.244 3.079 20 10 FGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000766047402 723552711 /nfs/dbraw/zinc/55/27/11/723552711.db2.gz HIIPRTSZERNKII-UHFFFAOYSA-N -1 1 363.435 3.430 20 10 FGCDMM Cc1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000766199883 723560790 /nfs/dbraw/zinc/56/07/90/723560790.db2.gz KLIZSFDSHBKOAU-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM CCC(CC)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201900 723560807 /nfs/dbraw/zinc/56/08/07/723560807.db2.gz WZARANLJDAGRHT-UHFFFAOYSA-N -1 1 350.278 3.010 20 10 FGCDMM COc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000773084346 723776293 /nfs/dbraw/zinc/77/62/93/723776293.db2.gz PTRBSDDVIQZPSK-LLVKDONJSA-N -1 1 370.421 3.079 20 10 FGCDMM COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000786441324 724979181 /nfs/dbraw/zinc/97/91/81/724979181.db2.gz NQUQHCMCFRHFLH-WPGHFRTFSA-N -1 1 351.830 3.022 20 10 FGCDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1S(=O)(=O)N(C)C ZINC000825289894 729377265 /nfs/dbraw/zinc/37/72/65/729377265.db2.gz JOGVVOPQEDXNQF-UHFFFAOYSA-N -1 1 354.859 3.216 20 10 FGCDMM O=S1(=O)Cc2ccccc2[C@@H](NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000857061683 732099421 /nfs/dbraw/zinc/09/94/21/732099421.db2.gz UEJMUZLKXRIYIU-HNNXBMFYSA-N -1 1 372.273 3.458 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](OCc3ccccn3)C2)c1[O-] ZINC000877645548 736699263 /nfs/dbraw/zinc/69/92/63/736699263.db2.gz OOZGGDQPOKTRHE-OAHLLOKOSA-N -1 1 363.801 3.140 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(COCCO)cc1 ZINC000883151001 737530087 /nfs/dbraw/zinc/53/00/87/737530087.db2.gz ZOTXDVBYGFPNSA-UHFFFAOYSA-N -1 1 370.218 3.415 20 10 FGCDMM C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759214 739827726 /nfs/dbraw/zinc/82/77/26/739827726.db2.gz GVOPMINLSKWCFU-QWRGUYRKSA-N -1 1 356.850 3.211 20 10 FGCDMM CC(C)[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccnn1C ZINC000894367599 742274041 /nfs/dbraw/zinc/27/40/41/742274041.db2.gz MDVSGRIQCXYTEJ-ZDUSSCGKSA-N -1 1 350.850 3.018 20 10 FGCDMM O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1cccc(Cl)c1[O-] ZINC000908326860 744279469 /nfs/dbraw/zinc/27/94/69/744279469.db2.gz DYQAWGFRSFJIDO-NSHDSACASA-N -1 1 353.818 3.291 20 10 FGCDMM C[C@@H](c1ccccc1)n1cnnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000917256368 758196131 /nfs/dbraw/zinc/19/61/31/758196131.db2.gz UZMGQNPGQCHKNZ-LBPRGKRZSA-N -1 1 355.419 3.274 20 10 FGCDMM Cc1c(C(F)(F)F)nn(C)c1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000930848706 760712282 /nfs/dbraw/zinc/71/22/82/760712282.db2.gz LRPCZFUCUMCBNN-UHFFFAOYSA-N -1 1 362.739 3.428 20 10 FGCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])c1nccs1 ZINC000277428522 496770272 /nfs/dbraw/zinc/77/02/72/496770272.db2.gz LTHRVSXYJCXDCA-VIFPVBQESA-N -1 1 370.272 3.214 20 10 FGCDMM CCC[C@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277494925 496791298 /nfs/dbraw/zinc/79/12/98/496791298.db2.gz JRRPRXUEGCWSFY-AAEUAGOBSA-N -1 1 356.260 3.366 20 10 FGCDMM Cc1nc([C@@H]2CCCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)no1 ZINC000362385733 498507575 /nfs/dbraw/zinc/50/75/75/498507575.db2.gz GFUIJURFXXTAAX-SNVBAGLBSA-N -1 1 352.778 3.025 20 10 FGCDMM CCn1cnnc1[C@@H]1CN([C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCO1 ZINC000365525717 498513492 /nfs/dbraw/zinc/51/34/92/498513492.db2.gz DHTKULJIYSMUKM-BMIGLBTASA-N -1 1 371.268 3.445 20 10 FGCDMM [O-]c1ccc(Cl)c(F)c1CNc1cc(-c2cccnc2)nn1CCO ZINC000377077245 499659901 /nfs/dbraw/zinc/65/99/01/499659901.db2.gz JXEUAEHLDOLRCK-UHFFFAOYSA-N -1 1 362.792 3.048 20 10 FGCDMM C[C@H](NCc1cc(C(N)=O)co1)c1cc(Br)cc(Cl)c1[O-] ZINC000779069155 724387124 /nfs/dbraw/zinc/38/71/24/724387124.db2.gz MKSRXSPXGHXDJQ-ZETCQYMHSA-N -1 1 373.634 3.351 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCN(CC(F)(F)F)CC2)c1 ZINC000781893988 724608359 /nfs/dbraw/zinc/60/83/59/724608359.db2.gz BCGZSACOEPJJEK-UHFFFAOYSA-N -1 1 367.209 3.143 20 10 FGCDMM Cc1cc(C)c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)sc2n1 ZINC000782501671 724676217 /nfs/dbraw/zinc/67/62/17/724676217.db2.gz FUCQNHNOXSJNKT-UHFFFAOYSA-N -1 1 357.387 3.364 20 10 FGCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc(F)cc1F ZINC000784338329 724844565 /nfs/dbraw/zinc/84/45/65/724844565.db2.gz LWSXAZHBCZSYFF-JTQLQIEISA-N -1 1 350.317 3.296 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@@H](C(F)(F)F)C2)c1[O-] ZINC000750056423 722753443 /nfs/dbraw/zinc/75/34/43/722753443.db2.gz HSCLXYNXHVFHMH-AMIZOPFISA-N -1 1 351.752 3.400 20 10 FGCDMM CCOc1c(Cl)cc(CNC(=O)c2c([O-])c(O)ccc2F)cc1OC ZINC000790069165 723102614 /nfs/dbraw/zinc/10/26/14/723102614.db2.gz MFBPWWIJXVZLED-UHFFFAOYSA-N -1 1 369.776 3.228 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000790411276 723136714 /nfs/dbraw/zinc/13/67/14/723136714.db2.gz IVWVWSRVFCFWRY-UHFFFAOYSA-N -1 1 351.424 3.217 20 10 FGCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cccc1N1C(=O)CNC1=O ZINC000793353285 723428223 /nfs/dbraw/zinc/42/82/23/723428223.db2.gz RAGXBTXAWUCRTB-UHFFFAOYSA-N -1 1 363.776 3.161 20 10 FGCDMM C[C@@H](Cc1ccco1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764761349 723443546 /nfs/dbraw/zinc/44/35/46/723443546.db2.gz LLXSNFYGKJRYMS-JTQLQIEISA-N -1 1 353.216 3.178 20 10 FGCDMM CS[C@H]1CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764790207 723446239 /nfs/dbraw/zinc/44/62/39/723446239.db2.gz IELQGKGCDYRIOM-MNOVXSKESA-N -1 1 359.289 3.238 20 10 FGCDMM Cc1cc(NCc2cccc(Br)c2[O-])nc(-c2ccncc2)n1 ZINC000764935517 723461254 /nfs/dbraw/zinc/46/12/54/723461254.db2.gz VYVCHFYICKFVIL-UHFFFAOYSA-N -1 1 371.238 3.349 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000765213418 723494716 /nfs/dbraw/zinc/49/47/16/723494716.db2.gz YSYMLKMOTBVVQV-UHFFFAOYSA-N -1 1 366.171 3.385 20 10 FGCDMM Cc1[nH]nc(C(C)C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751119 723537966 /nfs/dbraw/zinc/53/79/66/723537966.db2.gz OKPOVPCHOAHMAF-UHFFFAOYSA-N -1 1 352.232 3.240 20 10 FGCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000766200601 723560821 /nfs/dbraw/zinc/56/08/21/723560821.db2.gz MQZZAQAHWVNPLH-UHFFFAOYSA-N -1 1 370.268 3.250 20 10 FGCDMM Cc1cc(F)cc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766201266 723560958 /nfs/dbraw/zinc/56/09/58/723560958.db2.gz QGHSKKKVJFCVKI-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C(F)(F)F)OC[C@@H]2C)c1[O-] ZINC000796307482 723632009 /nfs/dbraw/zinc/63/20/09/723632009.db2.gz LSNPBUCFOOIULT-ISVAXAHUSA-N -1 1 351.752 3.400 20 10 FGCDMM COc1ccc(CS(C)(=O)=O)cc1NCc1c([O-])ccc(Cl)c1F ZINC000796468452 723638847 /nfs/dbraw/zinc/63/88/47/723638847.db2.gz DHCPAGRBIDXGMQ-UHFFFAOYSA-N -1 1 373.833 3.350 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1O ZINC000797820129 723866374 /nfs/dbraw/zinc/86/63/74/723866374.db2.gz HSFHPFSEFHLMHA-UHFFFAOYSA-N -1 1 363.313 3.100 20 10 FGCDMM COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000776002525 724095947 /nfs/dbraw/zinc/09/59/47/724095947.db2.gz UDJOAZSOBHFFKM-IINYFYTJSA-N -1 1 356.260 3.237 20 10 FGCDMM C[C@H](NCc1ncnn1C(C)(C)C)c1cc(Br)cc(F)c1[O-] ZINC000800500636 724203815 /nfs/dbraw/zinc/20/38/15/724203815.db2.gz SNAYKUCJAACEKY-VIFPVBQESA-N -1 1 371.254 3.491 20 10 FGCDMM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786341096 724974126 /nfs/dbraw/zinc/97/41/26/724974126.db2.gz CJHSISHKFGUTBD-DFHBCGBQSA-N -1 1 350.411 3.198 20 10 FGCDMM C[C@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1ncnn1C ZINC000788980885 725100684 /nfs/dbraw/zinc/10/06/84/725100684.db2.gz AQLSPKPIUXSHFK-YUMQZZPRSA-N -1 1 359.655 3.348 20 10 FGCDMM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808113924 725184547 /nfs/dbraw/zinc/18/45/47/725184547.db2.gz MIYNNBDMCWIBDF-UHFFFAOYSA-N -1 1 365.791 3.054 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NCC1CCC(F)CC1 ZINC000828408470 729443165 /nfs/dbraw/zinc/44/31/65/729443165.db2.gz ORTMUSWVUAQNTI-UHFFFAOYSA-N -1 1 359.239 3.482 20 10 FGCDMM C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1cc(Br)cc(F)c1[O-] ZINC000850498927 731364919 /nfs/dbraw/zinc/36/49/19/731364919.db2.gz GCCBIILYOLAPFD-RGNHYFCHSA-N -1 1 355.211 3.242 20 10 FGCDMM CCn1cc(CN[C@@H](C)c2cc(Br)cc(Cl)c2[O-])nn1 ZINC000850522485 731369005 /nfs/dbraw/zinc/36/90/05/731369005.db2.gz REZUDHUEXDIMND-QMMMGPOBSA-N -1 1 359.655 3.270 20 10 FGCDMM COc1c([O-])c(CN[C@@H](c2nccs2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000862432282 732834656 /nfs/dbraw/zinc/83/46/56/732834656.db2.gz XRBJPMNPSAPJJA-NSHDSACASA-N -1 1 363.317 3.159 20 10 FGCDMM CC(=O)NCCN(Cc1ccc(C)s1)Cc1ccc(F)c(F)c1[O-] ZINC000877502640 736674390 /nfs/dbraw/zinc/67/43/90/736674390.db2.gz OTKBHWUHQUUALT-UHFFFAOYSA-N -1 1 354.422 3.179 20 10 FGCDMM COC(=O)[C@]1(C(=O)NCc2cccc(Cl)c2[O-])C[C@H]1c1ccccc1 ZINC000890762407 739828448 /nfs/dbraw/zinc/82/84/48/739828448.db2.gz BPJZALRMGYQDJL-IFXJQAMLSA-N -1 1 359.809 3.009 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1O ZINC000177177661 495962353 /nfs/dbraw/zinc/96/23/53/495962353.db2.gz SKSGHPPHFOXJAP-CYBMUJFWSA-N -1 1 374.872 3.166 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000248534198 497032612 /nfs/dbraw/zinc/03/26/12/497032612.db2.gz JCBRTZUTCDDTBK-UVBJJODRSA-N -1 1 351.830 3.466 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000248534198 497032614 /nfs/dbraw/zinc/03/26/14/497032614.db2.gz JCBRTZUTCDDTBK-UVBJJODRSA-N -1 1 351.830 3.466 20 10 FGCDMM Cc1noc(C)c1C(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000281461065 498159377 /nfs/dbraw/zinc/15/93/77/498159377.db2.gz CBPMGJLBRHKAKX-UHFFFAOYSA-N -1 1 367.243 3.354 20 10 FGCDMM C[C@@H]1C[C@@]2(CCO1)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@H](C)O2 ZINC000366791793 499075616 /nfs/dbraw/zinc/07/56/16/499075616.db2.gz DETNBWWOZVWHHM-PEBVRCNWSA-N -1 1 370.833 3.112 20 10 FGCDMM Cc1c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cccc1[N+](=O)[O-] ZINC000738288854 600142718 /nfs/dbraw/zinc/14/27/18/600142718.db2.gz JBPHBYXALYVLCZ-UHFFFAOYSA-N -1 1 364.785 3.349 20 10 FGCDMM Cc1c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cccc1[N+](=O)[O-] ZINC000738288854 600142719 /nfs/dbraw/zinc/14/27/19/600142719.db2.gz JBPHBYXALYVLCZ-UHFFFAOYSA-N -1 1 364.785 3.349 20 10 FGCDMM Cc1cc(C(=O)CN(C)C2CCOCC2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832858847 601596337 /nfs/dbraw/zinc/59/63/37/601596337.db2.gz ILFXPBJWRNWWAG-UHFFFAOYSA-N -1 1 370.449 3.086 20 10 FGCDMM Oc1ccc2c(c1CNc1snc(Cl)c1-c1nnn[n-]1)CCCC2 ZINC000826511121 608186681 /nfs/dbraw/zinc/18/66/81/608186681.db2.gz CPOPGHGDFIDPFD-UHFFFAOYSA-N -1 1 362.846 3.173 20 10 FGCDMM Oc1ccc2c(c1CNc1snc(Cl)c1-c1nn[n-]n1)CCCC2 ZINC000826511121 608186683 /nfs/dbraw/zinc/18/66/83/608186683.db2.gz CPOPGHGDFIDPFD-UHFFFAOYSA-N -1 1 362.846 3.173 20 10 FGCDMM Cc1nnc(SCC(=O)c2ccc([O-])c(O)c2)n1Cc1ccccc1 ZINC000028853887 695706672 /nfs/dbraw/zinc/70/66/72/695706672.db2.gz UWSWMXYLBCKQBR-UHFFFAOYSA-N -1 1 355.419 3.021 20 10 FGCDMM NC(=O)CCOc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000098039187 700464757 /nfs/dbraw/zinc/46/47/57/700464757.db2.gz SSRJZVNYQJRNOE-UHFFFAOYSA-N -1 1 365.227 3.021 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2c(C)n[nH]c2C)c1[O-] ZINC000374300156 713911883 /nfs/dbraw/zinc/91/18/83/713911883.db2.gz DLHLLAKMJVKDTQ-MRXNPFEDSA-N -1 1 363.845 3.162 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnn1-c1ccccc1 ZINC000792484847 723340523 /nfs/dbraw/zinc/34/05/23/723340523.db2.gz VLVSGJQOOLXABT-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM [O-]c1cccc(Cl)c1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC000769468842 723686534 /nfs/dbraw/zinc/68/65/34/723686534.db2.gz PGXNRKLBUNUZST-UHFFFAOYSA-N -1 1 354.841 3.244 20 10 FGCDMM CO[C@@H](C)c1noc(CN(C)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000781906774 724610670 /nfs/dbraw/zinc/61/06/70/724610670.db2.gz CBAVEUAUQQHCTI-JTQLQIEISA-N -1 1 370.247 3.186 20 10 FGCDMM Cc1sc(-c2ccco2)nc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782675032 724692490 /nfs/dbraw/zinc/69/24/90/724692490.db2.gz YNGAFPVESYGOIC-UHFFFAOYSA-N -1 1 359.359 3.162 20 10 FGCDMM O=C(COC(=O)c1nc(-c2ccccc2)cs1)c1ccc([O-])c(O)c1 ZINC000782823647 724701866 /nfs/dbraw/zinc/70/18/66/724701866.db2.gz YFRYMJQEYZXSJZ-UHFFFAOYSA-N -1 1 355.371 3.261 20 10 FGCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1cccc(F)c1F ZINC000725821434 722423582 /nfs/dbraw/zinc/42/35/82/722423582.db2.gz BBDHPZPAMWUOEW-UHFFFAOYSA-N -1 1 352.406 3.044 20 10 FGCDMM O=C(N[C@H]1CCCN(c2ccccc2Cl)C1)c1c([O-])c(O)ccc1F ZINC000789981425 723090667 /nfs/dbraw/zinc/09/06/67/723090667.db2.gz LLGGKQGVJHLOJN-NSHDSACASA-N -1 1 364.804 3.289 20 10 FGCDMM O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)c1c([O-])c(O)ccc1F ZINC000790070801 723102432 /nfs/dbraw/zinc/10/24/32/723102432.db2.gz HCQRGULQPOEOQY-LBPRGKRZSA-N -1 1 360.168 3.007 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 ZINC000790416407 723137737 /nfs/dbraw/zinc/13/77/37/723137737.db2.gz WYSXPNYPBMYFHN-UHFFFAOYSA-N -1 1 369.826 3.195 20 10 FGCDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1 ZINC000790415747 723137804 /nfs/dbraw/zinc/13/78/04/723137804.db2.gz KPPABZUNTHBKPW-UHFFFAOYSA-N -1 1 363.435 3.322 20 10 FGCDMM O=S(=O)(NC1CC1)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000792175408 723318598 /nfs/dbraw/zinc/31/85/98/723318598.db2.gz TVSHNAOFLIGMTD-UHFFFAOYSA-N -1 1 370.833 3.238 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000792703495 723358740 /nfs/dbraw/zinc/35/87/40/723358740.db2.gz XYXLOXWSNVRCPL-UHFFFAOYSA-N -1 1 351.449 3.240 20 10 FGCDMM Cc1noc(C)c1[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764780756 723444930 /nfs/dbraw/zinc/44/49/30/723444930.db2.gz SGVQZPXGLGUCGV-MRVPVSSYSA-N -1 1 368.231 3.320 20 10 FGCDMM CCCc1nnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765213099 723494776 /nfs/dbraw/zinc/49/47/76/723494776.db2.gz JORYGKPNZODBJE-UHFFFAOYSA-N -1 1 371.260 3.280 20 10 FGCDMM Cc1ccc([N+](=O)[O-])c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765735633 723536690 /nfs/dbraw/zinc/53/66/90/723536690.db2.gz HZPRQJHMVAXONU-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM C[C@@](O)(CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765745975 723537454 /nfs/dbraw/zinc/53/74/54/723537454.db2.gz BEBYBSZJAHTUBX-QGZVFWFLSA-N -1 1 364.239 3.069 20 10 FGCDMM Cc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1O ZINC000765747459 723537719 /nfs/dbraw/zinc/53/77/19/723537719.db2.gz NWDWXGZWHMQFOD-UHFFFAOYSA-N -1 1 350.212 3.028 20 10 FGCDMM Cc1cccc(CS(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766199597 723560895 /nfs/dbraw/zinc/56/08/95/723560895.db2.gz GCOWNJBDGRDUIH-UHFFFAOYSA-N -1 1 370.268 3.083 20 10 FGCDMM CCc1ccnc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000798118522 723906003 /nfs/dbraw/zinc/90/60/03/723906003.db2.gz COXPZUBXJSEXMN-UHFFFAOYSA-N -1 1 364.243 3.112 20 10 FGCDMM Cc1occc1C(=O)NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775679316 724023468 /nfs/dbraw/zinc/02/34/68/724023468.db2.gz WPQGFERXTCMKBB-UHFFFAOYSA-N -1 1 366.820 3.481 20 10 FGCDMM CCOC(=O)[C@H](C)N(Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000787442141 725028626 /nfs/dbraw/zinc/02/86/26/725028626.db2.gz TYKMILGHSHNLJD-NSHDSACASA-N -1 1 356.260 3.379 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccn2ccnc2c1 ZINC000810228573 725298264 /nfs/dbraw/zinc/29/82/64/725298264.db2.gz VZDSCSQRAXBKMT-UHFFFAOYSA-N -1 1 361.199 3.124 20 10 FGCDMM CC[C@@H](C)[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000836546466 729959866 /nfs/dbraw/zinc/95/98/66/729959866.db2.gz IBBVZWVKJIZRRF-ZWNOBZJWSA-N -1 1 359.264 3.015 20 10 FGCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCCO1 ZINC000847440579 731055894 /nfs/dbraw/zinc/05/58/94/731055894.db2.gz HYMFYEFCAQQCOR-ZIAGYGMSSA-N -1 1 371.275 3.302 20 10 FGCDMM Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(Cl)c1[O-] ZINC000848918817 731220536 /nfs/dbraw/zinc/22/05/36/731220536.db2.gz NAODHMUTPBOQTC-UHFFFAOYSA-N -1 1 354.859 3.216 20 10 FGCDMM CCOCc1nc(C)cc(NCc2cccc(Br)c2[O-])n1 ZINC000893514677 742164650 /nfs/dbraw/zinc/16/46/50/742164650.db2.gz DCPQXXYTOPRNAQ-UHFFFAOYSA-N -1 1 352.232 3.402 20 10 FGCDMM C[C@H](O)C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000893651331 742181339 /nfs/dbraw/zinc/18/13/39/742181339.db2.gz OMAXOEOGUQDMQS-BBRMVZONSA-N -1 1 362.857 3.400 20 10 FGCDMM COCCN(Cc1ccccn1)Cc1cc(Br)cc(F)c1[O-] ZINC000894765384 742330099 /nfs/dbraw/zinc/33/00/99/742330099.db2.gz HFGYIFFQHGDCQD-UHFFFAOYSA-N -1 1 369.234 3.337 20 10 FGCDMM COc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])c(C)c1OC ZINC000896753287 742593391 /nfs/dbraw/zinc/59/33/91/742593391.db2.gz ZXKODLUGEHROGY-UHFFFAOYSA-N -1 1 364.829 3.371 20 10 FGCDMM Cc1csc(C[C@@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)n1 ZINC000899546066 742966868 /nfs/dbraw/zinc/96/68/68/742966868.db2.gz YRMVJCDSXYSHLU-NSHDSACASA-N -1 1 350.415 3.097 20 10 FGCDMM O=C(CSc1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591567 758102301 /nfs/dbraw/zinc/10/23/01/758102301.db2.gz WBQIBWDRFHNYHB-UHFFFAOYSA-N -1 1 352.795 3.269 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNCc1nc2c(s1)COCC2 ZINC000922960760 759040797 /nfs/dbraw/zinc/04/07/97/759040797.db2.gz UUQZUUGYKJAXOU-UHFFFAOYSA-N -1 1 373.247 3.113 20 10 FGCDMM C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCS1 ZINC000927237699 759924372 /nfs/dbraw/zinc/92/43/72/759924372.db2.gz FJYCTOVEUZLZMJ-ONGXEEELSA-N -1 1 359.289 3.238 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN[C@H]([C@@H]2CCOC2)C(F)(F)F)c1[O-] ZINC000933012712 761300967 /nfs/dbraw/zinc/30/09/67/761300967.db2.gz KIWIWOXPWFNHEZ-YMTOWFKASA-N -1 1 351.752 3.305 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCc2cccnc21 ZINC000278003865 496968409 /nfs/dbraw/zinc/96/84/09/496968409.db2.gz RASSUMNNWQXHFD-ZDUSSCGKSA-N -1 1 361.239 3.286 20 10 FGCDMM CO[C@H]1CCC[C@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000281452600 498156223 /nfs/dbraw/zinc/15/62/23/498156223.db2.gz CPNUFJLCXLHJEB-AAEUAGOBSA-N -1 1 356.260 3.366 20 10 FGCDMM COc1ccc(N2CCC(N(C)C(=O)c3cc(F)ccc3[O-])CC2)cc1 ZINC000362336103 498499866 /nfs/dbraw/zinc/49/98/66/498499866.db2.gz OBTOQOXBNSFHMQ-UHFFFAOYSA-N -1 1 358.413 3.281 20 10 FGCDMM O=S1(=O)CCCN1c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294162068 498606893 /nfs/dbraw/zinc/60/68/93/498606893.db2.gz IRUCAZDNEGDRBD-UHFFFAOYSA-N -1 1 370.833 3.337 20 10 FGCDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833182058 604680469 /nfs/dbraw/zinc/68/04/69/604680469.db2.gz STGXUQJWKPRGII-IUPBHXKESA-N -1 1 354.790 3.172 20 10 FGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000300438276 604681560 /nfs/dbraw/zinc/68/15/60/604681560.db2.gz VASFAIWKAZBSRH-GDLCADMTSA-N -1 1 354.244 3.372 20 10 FGCDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000300438276 604681563 /nfs/dbraw/zinc/68/15/63/604681563.db2.gz VASFAIWKAZBSRH-GDLCADMTSA-N -1 1 354.244 3.372 20 10 FGCDMM O=C(CCOc1ccc(F)cc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783040812 724717732 /nfs/dbraw/zinc/71/77/32/724717732.db2.gz XGWABNXEFGXEES-UHFFFAOYSA-N -1 1 368.744 3.085 20 10 FGCDMM CSc1ccc(O[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783768637 724788026 /nfs/dbraw/zinc/78/80/26/724788026.db2.gz FHXHGYLAVCKJNQ-LLVKDONJSA-N -1 1 362.403 3.013 20 10 FGCDMM O=C(NCc1cccc(OCC(F)(F)F)c1)c1c(F)ccc(O)c1[O-] ZINC000789956293 723088400 /nfs/dbraw/zinc/08/84/00/723088400.db2.gz FSDWDBGIDIUFMQ-UHFFFAOYSA-N -1 1 359.275 3.108 20 10 FGCDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702135 723358397 /nfs/dbraw/zinc/35/83/97/723358397.db2.gz NDUKFTMCWNDEKJ-UHFFFAOYSA-N -1 1 366.464 3.263 20 10 FGCDMM COc1ncc(C)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765296879 723503741 /nfs/dbraw/zinc/50/37/41/723503741.db2.gz HTOVXZADCRGBOC-UHFFFAOYSA-N -1 1 366.215 3.188 20 10 FGCDMM COCc1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765746439 723537260 /nfs/dbraw/zinc/53/72/60/723537260.db2.gz GRWSKRQJXBBFJH-UHFFFAOYSA-N -1 1 364.239 3.160 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccco2)on1 ZINC000765748623 723537485 /nfs/dbraw/zinc/53/74/85/723537485.db2.gz YHELHVKGIORHOM-UHFFFAOYSA-N -1 1 363.167 3.333 20 10 FGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC(C)C)c(C)c1 ZINC000766049155 723552803 /nfs/dbraw/zinc/55/28/03/723552803.db2.gz ZNUOOJLKKUSCEH-UHFFFAOYSA-N -1 1 363.435 3.491 20 10 FGCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000766200817 723560866 /nfs/dbraw/zinc/56/08/66/723560866.db2.gz OKLOAVKELZNBDE-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000805006332 725043647 /nfs/dbraw/zinc/04/36/47/725043647.db2.gz ZXTAKECNCJGTKX-UHFFFAOYSA-N -1 1 374.840 3.471 20 10 FGCDMM CON(C)C(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000811839761 725382676 /nfs/dbraw/zinc/38/26/76/725382676.db2.gz FMDBDGZXSHJTDS-UHFFFAOYSA-N -1 1 365.227 3.400 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C3CCC3)c2)c1 ZINC000812661058 725402152 /nfs/dbraw/zinc/40/21/52/725402152.db2.gz ZSNBJCXFUZOGSZ-UHFFFAOYSA-N -1 1 360.435 3.284 20 10 FGCDMM Cc1cc(CNC(=O)NCc2cccc(Br)c2[O-])cc(C)n1 ZINC000817171081 727226783 /nfs/dbraw/zinc/22/67/83/727226783.db2.gz QYBQBXDCGURALQ-UHFFFAOYSA-N -1 1 364.243 3.166 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCn3c(nnc3C(F)F)C2)c1 ZINC000827898663 729436656 /nfs/dbraw/zinc/43/66/56/729436656.db2.gz RZJRMGSMLGKKGY-UHFFFAOYSA-N -1 1 373.201 3.008 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cc2c(cn1)CCC2 ZINC000836700580 729966376 /nfs/dbraw/zinc/96/63/76/729966376.db2.gz AQJKAGSKVUNXCH-UHFFFAOYSA-N -1 1 362.227 3.360 20 10 FGCDMM COc1ncc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1Cl ZINC000842587370 730516241 /nfs/dbraw/zinc/51/62/41/730516241.db2.gz CQEBYFBKSWLQIP-UHFFFAOYSA-N -1 1 356.831 3.175 20 10 FGCDMM C[C@H](Nc1ccc(OCCS(C)(=O)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000850487330 731362414 /nfs/dbraw/zinc/36/24/14/731362414.db2.gz HQNSXZXJOMKCPR-NSHDSACASA-N -1 1 371.405 3.267 20 10 FGCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000883887754 737612290 /nfs/dbraw/zinc/61/22/90/737612290.db2.gz STRFVQGFADJZEN-GXTWGEPZSA-N -1 1 371.275 3.159 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])C1([C@@H]2CCCCO2)CCOCC1 ZINC000890762503 739828269 /nfs/dbraw/zinc/82/82/69/739828269.db2.gz FLILXRXBEQUOKJ-HNNXBMFYSA-N -1 1 353.846 3.028 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NCc1cccnc1OCC(F)F ZINC000893920123 742213867 /nfs/dbraw/zinc/21/38/67/742213867.db2.gz KCSBMMSUIKYHDZ-UHFFFAOYSA-N -1 1 371.771 3.084 20 10 FGCDMM Cc1cc(C)n(CCCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000935663067 761917527 /nfs/dbraw/zinc/91/75/27/761917527.db2.gz OLASYBKREPUESQ-UHFFFAOYSA-N -1 1 366.259 3.065 20 10 FGCDMM C[C@H](c1ccccc1)n1cnnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000917256367 758195490 /nfs/dbraw/zinc/19/54/90/758195490.db2.gz UZMGQNPGQCHKNZ-GFCCVEGCSA-N -1 1 355.419 3.274 20 10 FGCDMM CCc1nc(CC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000277550688 496809523 /nfs/dbraw/zinc/80/95/23/496809523.db2.gz OFBORVULQGPFQL-UHFFFAOYSA-N -1 1 355.257 3.033 20 10 FGCDMM COc1c([O-])c(CN[C@H](c2nc(C3CC3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000278524585 497143194 /nfs/dbraw/zinc/14/31/94/497143194.db2.gz SXNHPMBHXSYGQM-ZDUSSCGKSA-N -1 1 362.386 3.056 20 10 FGCDMM Cc1cc(C(=O)CN2CC[C@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263580780 497802963 /nfs/dbraw/zinc/80/29/63/497802963.db2.gz WHZIHHCSOMRKSC-KRWDZBQOSA-N -1 1 354.450 3.300 20 10 FGCDMM CCn1ncc(CN[C@H](C)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000527924046 503999771 /nfs/dbraw/zinc/99/97/71/503999771.db2.gz NUMLQIXBTBTENI-MRVPVSSYSA-N -1 1 359.655 3.270 20 10 FGCDMM O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000003095711 695536874 /nfs/dbraw/zinc/53/68/74/695536874.db2.gz JQGLRHIYQDLAED-UHFFFAOYSA-N -1 1 363.178 3.408 20 10 FGCDMM CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177167816 705610405 /nfs/dbraw/zinc/61/04/05/705610405.db2.gz KHMLFQQOASNMKE-INIZCTEOSA-N -1 1 352.862 3.081 20 10 FGCDMM COCC(=O)N1CCc2cc(NCc3cc(Cl)cc(F)c3[O-])ccc21 ZINC000779191706 724398704 /nfs/dbraw/zinc/39/87/04/724398704.db2.gz UWFHJJAPDQOSCH-UHFFFAOYSA-N -1 1 364.804 3.332 20 10 FGCDMM Cc1n[nH]cc1-c1nnc(NCc2cccc(Br)c2[O-])s1 ZINC000780403726 724462746 /nfs/dbraw/zinc/46/27/46/724462746.db2.gz WGKBLNKUKZZAPA-UHFFFAOYSA-N -1 1 366.244 3.317 20 10 FGCDMM O=C(COC(=O)c1csc(-c2cccs2)n1)c1ccc([O-])c(O)c1 ZINC000782557207 724682601 /nfs/dbraw/zinc/68/26/01/724682601.db2.gz AEJJAYYBHUMQAR-UHFFFAOYSA-N -1 1 361.400 3.323 20 10 FGCDMM O=C(COC(=O)c1cccn1Cc1cccs1)c1ccc([O-])c(O)c1 ZINC000783093652 724723271 /nfs/dbraw/zinc/72/32/71/724723271.db2.gz PJJYKPBUKZAGOA-UHFFFAOYSA-N -1 1 357.387 3.049 20 10 FGCDMM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc(Cl)c2O1 ZINC000736062513 722521842 /nfs/dbraw/zinc/52/18/42/722521842.db2.gz VDGAZVRWAQXCHS-VIFPVBQESA-N -1 1 367.810 3.193 20 10 FGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(Cl)cc2Cl)n1 ZINC000747654194 722654778 /nfs/dbraw/zinc/65/47/78/722654778.db2.gz LTAJNHBPQNCSEM-UHFFFAOYSA-N -1 1 358.254 3.414 20 10 FGCDMM O=C1OCc2c1cccc2S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000758163929 722985337 /nfs/dbraw/zinc/98/53/37/722985337.db2.gz OCICRRCKDJSGEJ-UHFFFAOYSA-N -1 1 374.201 3.170 20 10 FGCDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000758168564 722985422 /nfs/dbraw/zinc/98/54/22/722985422.db2.gz CHFPOEWRKYFUTK-UHFFFAOYSA-N -1 1 360.750 3.202 20 10 FGCDMM O=C(NCc1ccc(OCC(F)(F)F)cc1)c1c(F)ccc(O)c1[O-] ZINC000789947170 723087201 /nfs/dbraw/zinc/08/72/01/723087201.db2.gz XBWFPSXQOKIDNB-UHFFFAOYSA-N -1 1 359.275 3.108 20 10 FGCDMM CN(Cc1csc(Br)c1)C(=O)c1c([O-])c(O)ccc1F ZINC000789963691 723089435 /nfs/dbraw/zinc/08/94/35/723089435.db2.gz QVTVBIQXSVAILC-UHFFFAOYSA-N -1 1 360.204 3.333 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000790410829 723136679 /nfs/dbraw/zinc/13/66/79/723136679.db2.gz DGZZXHWPWJRNDF-UHFFFAOYSA-N -1 1 363.435 3.305 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c(C)c1 ZINC000761996401 723204702 /nfs/dbraw/zinc/20/47/02/723204702.db2.gz SVPQYFOYXAPMGX-UHFFFAOYSA-N -1 1 351.424 3.297 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc3nc(C)sc3c2)ccc1O ZINC000793431649 723437250 /nfs/dbraw/zinc/43/72/50/723437250.db2.gz NTWFKJFEFULJMF-UHFFFAOYSA-N -1 1 350.421 3.120 20 10 FGCDMM CCCC[C@@H](COC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764786071 723445857 /nfs/dbraw/zinc/44/58/57/723445857.db2.gz YWIPXUKEQVZRED-LBPRGKRZSA-N -1 1 359.264 3.159 20 10 FGCDMM CO[C@@]1(C)C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764791087 723446149 /nfs/dbraw/zinc/44/61/49/723446149.db2.gz MKTBODZSWCFXCD-WBMJQRKESA-N -1 1 371.275 3.158 20 10 FGCDMM CO[C@]1(C)C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764791083 723446230 /nfs/dbraw/zinc/44/62/30/723446230.db2.gz MKTBODZSWCFXCD-BLLLJJGKSA-N -1 1 371.275 3.158 20 10 FGCDMM Cc1ccn(-c2ccc(NCc3cccc(Br)c3[O-])nn2)n1 ZINC000764934870 723460962 /nfs/dbraw/zinc/46/09/62/723460962.db2.gz PMMKIEGMOUSCCX-UHFFFAOYSA-N -1 1 360.215 3.051 20 10 FGCDMM Cc1noc(C)c1[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765731471 723535880 /nfs/dbraw/zinc/53/58/80/723535880.db2.gz JHHPELKDRKMFJK-QMMMGPOBSA-N -1 1 353.216 3.179 20 10 FGCDMM C[C@@H]1C(=O)CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000765750407 723537842 /nfs/dbraw/zinc/53/78/42/723537842.db2.gz FZPWUVKDROFUJX-PWSUYJOCSA-N -1 1 368.271 3.412 20 10 FGCDMM COc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1F ZINC000765751963 723538068 /nfs/dbraw/zinc/53/80/68/723538068.db2.gz BWYJJTKHYOEDAM-UHFFFAOYSA-N -1 1 354.175 3.232 20 10 FGCDMM C[C@H]1CCC[C@@H](OCC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765752884 723538109 /nfs/dbraw/zinc/53/81/09/723538109.db2.gz ZYSXRGCQOGZRJW-WCQYABFASA-N -1 1 356.260 3.366 20 10 FGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])cc(Cl)n1 ZINC000765765471 723539193 /nfs/dbraw/zinc/53/91/93/723539193.db2.gz SGCLDDFLDQHFKO-UHFFFAOYSA-N -1 1 355.619 3.442 20 10 FGCDMM Cc1ccsc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200739 723560872 /nfs/dbraw/zinc/56/08/72/723560872.db2.gz NHYVXXFTQTWQQY-UHFFFAOYSA-N -1 1 362.270 3.003 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1[O-] ZINC000796606039 723646165 /nfs/dbraw/zinc/64/61/65/723646165.db2.gz ATONETWDKREANJ-XIKOKIGWSA-N -1 1 353.846 3.018 20 10 FGCDMM CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769498231 723687340 /nfs/dbraw/zinc/68/73/40/723687340.db2.gz SFWHZCXAQPQWLW-HUUCEWRRSA-N -1 1 369.849 3.175 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1[O-] ZINC000797527240 723830718 /nfs/dbraw/zinc/83/07/18/723830718.db2.gz DWIXDALDJAKESZ-JMERFSKESA-N -1 1 367.873 3.407 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(CC(F)(F)F)cc2)ccc1O ZINC000797819981 723866351 /nfs/dbraw/zinc/86/63/51/723866351.db2.gz ZVNJNPZBHAXLAW-UHFFFAOYSA-N -1 1 361.341 3.306 20 10 FGCDMM CC[C@@H](CO)NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000798085266 723903237 /nfs/dbraw/zinc/90/32/37/723903237.db2.gz NEQIXSMQNJFEQW-LBPRGKRZSA-N -1 1 366.820 3.298 20 10 FGCDMM Cc1nc2c(cccc2C(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC000801965715 724351631 /nfs/dbraw/zinc/35/16/31/724351631.db2.gz UOIYZZJEJRUQDE-UHFFFAOYSA-N -1 1 360.211 3.269 20 10 FGCDMM Cc1cccnc1C(F)(F)C(=O)NCc1cccc(Br)c1[O-] ZINC000787583215 725032568 /nfs/dbraw/zinc/03/25/68/725032568.db2.gz XPQFSLFRBOWBOW-UHFFFAOYSA-N -1 1 371.181 3.266 20 10 FGCDMM Cc1cccc(Br)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000811272841 725354596 /nfs/dbraw/zinc/35/45/96/725354596.db2.gz YMUMZCHKRPBHJL-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826894645 729418241 /nfs/dbraw/zinc/41/82/41/729418241.db2.gz SFJKSKUZUJMWHG-ZJUUUORDSA-N -1 1 369.742 3.358 20 10 FGCDMM COC(=O)[C@H]1CSCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000840975779 730199985 /nfs/dbraw/zinc/19/99/85/730199985.db2.gz ACAOGUHELWULKJ-SNVBAGLBSA-N -1 1 350.267 3.037 20 10 FGCDMM CO[C@H](CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F)C1CCCC1 ZINC000849309806 731245975 /nfs/dbraw/zinc/24/59/75/731245975.db2.gz MTRRWWZKSSGOMB-CQSZACIVSA-N -1 1 351.827 3.132 20 10 FGCDMM C[C@@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866628669 733376186 /nfs/dbraw/zinc/37/61/86/733376186.db2.gz LVCSXJDHLBRKHM-MRVPVSSYSA-N -1 1 370.236 3.118 20 10 FGCDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1nnc2n1CCC2 ZINC000882886147 737500946 /nfs/dbraw/zinc/50/09/46/737500946.db2.gz HDXBADPINLGAHA-QMMMGPOBSA-N -1 1 371.666 3.197 20 10 FGCDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1nnc2n1CCC2 ZINC000882886146 737501194 /nfs/dbraw/zinc/50/11/94/737501194.db2.gz HDXBADPINLGAHA-MRVPVSSYSA-N -1 1 371.666 3.197 20 10 FGCDMM CN(C(=O)C1CC1)c1ccccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757200 739827373 /nfs/dbraw/zinc/82/73/73/739827373.db2.gz AEVASCXPHBJWMS-UHFFFAOYSA-N -1 1 358.825 3.348 20 10 FGCDMM C[C@@H](CCC(=O)NCc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC000890759521 739827921 /nfs/dbraw/zinc/82/79/21/739827921.db2.gz MNAARERPSMAEOL-NSHDSACASA-N -1 1 356.850 3.355 20 10 FGCDMM CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000890758552 739828018 /nfs/dbraw/zinc/82/80/18/739828018.db2.gz PMKAQBMXIROZRV-UHFFFAOYSA-N -1 1 350.802 3.097 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@H](c2ccncc2)C1 ZINC000895195054 742386451 /nfs/dbraw/zinc/38/64/51/742386451.db2.gz MMUGDCMYKMXQSB-HOCLYGCPSA-N -1 1 361.829 3.160 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1nnc([C@H]2CCCO2)o1 ZINC000905407398 744019963 /nfs/dbraw/zinc/01/99/63/744019963.db2.gz FLFCCXOZEHJADX-SNVBAGLBSA-N -1 1 358.167 3.140 20 10 FGCDMM C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000185490852 495596740 /nfs/dbraw/zinc/59/67/40/495596740.db2.gz OQDQKDVEFBZRIN-CYBMUJFWSA-N -1 1 374.462 3.308 20 10 FGCDMM CC(=O)[C@@H]1C[C@H](CC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000277490974 496789774 /nfs/dbraw/zinc/78/97/74/496789774.db2.gz JMEORCGKACDMNI-OLZOCXBDSA-N -1 1 368.271 3.412 20 10 FGCDMM CCOC(=O)[C@H](F)C1C[NH+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000293987653 498554540 /nfs/dbraw/zinc/55/45/40/498554540.db2.gz RTQMWLPPABHSCQ-HXUWFJFHSA-N -1 1 373.424 3.304 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)c1[O-] ZINC000375875065 499564037 /nfs/dbraw/zinc/56/40/37/499564037.db2.gz SDNRDADAFCXFJA-MSOLQXFVSA-N -1 1 364.873 3.224 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCc3nc(C4CC4)ncc3C2)c1[O-] ZINC000528738328 504357459 /nfs/dbraw/zinc/35/74/59/504357459.db2.gz TUNZTUNQNKTIID-UHFFFAOYSA-N -1 1 357.841 3.474 20 10 FGCDMM CC(=O)c1cc(F)cc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1O ZINC000825946865 601151132 /nfs/dbraw/zinc/15/11/32/601151132.db2.gz ULKGPVIXDKEZJI-UHFFFAOYSA-N -1 1 367.323 3.099 20 10 FGCDMM O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(Br)c1[O-] ZINC000833193588 604468099 /nfs/dbraw/zinc/46/80/99/604468099.db2.gz DITRBKRDVFEVCP-HNNXBMFYSA-N -1 1 362.223 3.166 20 10 FGCDMM CC(C)N(CC(=O)Nc1ccccc1C(=O)[O-])Cc1ccc(N(C)C)cc1 ZINC000826935962 604967403 /nfs/dbraw/zinc/96/74/03/604967403.db2.gz QEDWACGFOAEUKP-UHFFFAOYSA-N -1 1 369.465 3.300 20 10 FGCDMM CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000041374251 695761349 /nfs/dbraw/zinc/76/13/49/695761349.db2.gz GCIADTULQRSPEE-UHFFFAOYSA-N -1 1 360.479 3.447 20 10 FGCDMM CN(C)c1ccc(CN(C)C(=O)c2ccc(Br)c([O-])c2)cc1 ZINC000120498604 700655619 /nfs/dbraw/zinc/65/56/19/700655619.db2.gz NMZHFSRNKCLFHL-UHFFFAOYSA-N -1 1 363.255 3.493 20 10 FGCDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1C ZINC000126121204 700744039 /nfs/dbraw/zinc/74/40/39/700744039.db2.gz VDRMROPWISYKMA-UHFFFAOYSA-N -1 1 356.787 3.371 20 10 FGCDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c(Cl)c1 ZINC000126121433 700744057 /nfs/dbraw/zinc/74/40/57/700744057.db2.gz SALLTUNAEGUYQG-UHFFFAOYSA-N -1 1 363.178 3.408 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cccc(O)c3)CC2)c1[O-] ZINC000176890123 705595564 /nfs/dbraw/zinc/59/55/64/705595564.db2.gz XKIWEGHXJRLUCW-UHFFFAOYSA-N -1 1 360.841 3.276 20 10 FGCDMM COc1ncc(C(=O)NCc2cccc(Br)c2[O-])cc1Cl ZINC000803213149 724437173 /nfs/dbraw/zinc/43/71/73/724437173.db2.gz OFAKHDQHZOAEFQ-UHFFFAOYSA-N -1 1 371.618 3.142 20 10 FGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1ccc(C(F)(F)F)cc1F ZINC000780402361 724462749 /nfs/dbraw/zinc/46/27/49/724462749.db2.gz RSIAOHUIFHTTKN-UHFFFAOYSA-N -1 1 353.268 3.490 20 10 FGCDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000781019111 724521556 /nfs/dbraw/zinc/52/15/56/724521556.db2.gz BMZFBBGSYDXYFC-UHFFFAOYSA-N -1 1 352.184 3.435 20 10 FGCDMM O=C(COC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000784097007 724820797 /nfs/dbraw/zinc/82/07/97/724820797.db2.gz ZVJBFJJWZKMJIF-UHFFFAOYSA-N -1 1 358.243 3.295 20 10 FGCDMM CCSc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000733809427 722501008 /nfs/dbraw/zinc/50/10/08/722501008.db2.gz OETCIKMPCCLNIK-UHFFFAOYSA-N -1 1 366.464 3.128 20 10 FGCDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc(C)c1F ZINC000742028097 722551425 /nfs/dbraw/zinc/55/14/25/722551425.db2.gz QQCCVCRDLKWLPT-UHFFFAOYSA-N -1 1 364.442 3.080 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1Cc2ccccc21 ZINC000765480693 723516299 /nfs/dbraw/zinc/51/62/99/723516299.db2.gz ZXEJFQJCZXQRBA-ZDUSSCGKSA-N -1 1 361.239 3.294 20 10 FGCDMM CNC(=O)COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])c(C)c1 ZINC000794838281 723548605 /nfs/dbraw/zinc/54/86/05/723548605.db2.gz AQGYNXSFUARJHT-NSHDSACASA-N -1 1 350.365 3.277 20 10 FGCDMM Cc1cc(F)ccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766207606 723561349 /nfs/dbraw/zinc/56/13/49/723561349.db2.gz RDAITQFKOCJWTP-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM Cc1cc(Br)cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784743286 724876121 /nfs/dbraw/zinc/87/61/21/724876121.db2.gz VLGZYDRZKYUCPZ-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1 ZINC000789567440 725136780 /nfs/dbraw/zinc/13/67/80/725136780.db2.gz SFYUXWRIIYMMDD-ZFWWWQNUSA-N -1 1 368.271 3.033 20 10 FGCDMM O=C1C[C@@H](Cc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2)C(=O)N1 ZINC000816527460 727171847 /nfs/dbraw/zinc/17/18/47/727171847.db2.gz LMFPLBOINURYDP-LLVKDONJSA-N -1 1 362.788 3.002 20 10 FGCDMM O=C([N-]C[C@@H]1Cc2ccccc2N1Cc1ccccc1O)C(F)(F)F ZINC000817418080 727249775 /nfs/dbraw/zinc/24/97/75/727249775.db2.gz ZKWCCDDKCGEWJK-AWEZNQCLSA-N -1 1 350.340 3.002 20 10 FGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(OCC2CCCCC2)CC1 ZINC000826128586 729405636 /nfs/dbraw/zinc/40/56/36/729405636.db2.gz PDUCTYDUFDSURK-UHFFFAOYSA-N -1 1 351.418 3.438 20 10 FGCDMM CCS(=O)(=O)N(C)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000827400788 729429810 /nfs/dbraw/zinc/42/98/10/729429810.db2.gz GOJVHJRTHVWBBE-UHFFFAOYSA-N -1 1 354.859 3.444 20 10 FGCDMM CC1(C)C[C@H](CNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000836675595 729964619 /nfs/dbraw/zinc/96/46/19/729964619.db2.gz FYYLUHRXPDCTBC-LLVKDONJSA-N -1 1 371.275 3.159 20 10 FGCDMM CC[C@H](COCC1CC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000852461573 731586849 /nfs/dbraw/zinc/58/68/49/731586849.db2.gz BCMOEEBHOIHELD-CYBMUJFWSA-N -1 1 371.275 3.159 20 10 FGCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(C(F)F)o1 ZINC000866485959 733355979 /nfs/dbraw/zinc/35/59/79/733355979.db2.gz UJXAMEAGJUUSFT-UHFFFAOYSA-N -1 1 356.394 3.296 20 10 FGCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)C1(COCc2ccccc2)CC1 ZINC000882737754 737485392 /nfs/dbraw/zinc/48/53/92/737485392.db2.gz VSDYFHFDXVZZLZ-UHFFFAOYSA-N -1 1 369.389 3.162 20 10 FGCDMM O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1cccc(Cl)c1[O-] ZINC000890757499 739827179 /nfs/dbraw/zinc/82/71/79/739827179.db2.gz GAOMICFCEORROP-ZDUSSCGKSA-N -1 1 358.825 3.253 20 10 FGCDMM CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890757222 739827421 /nfs/dbraw/zinc/82/74/21/739827421.db2.gz AKYXYOLJFXTFHB-UHFFFAOYSA-N -1 1 368.861 3.309 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000890759358 739827825 /nfs/dbraw/zinc/82/78/25/739827825.db2.gz AFYJZQYGRTVOPV-KBPBESRZSA-N -1 1 359.809 3.237 20 10 FGCDMM Cn1ccnc1[C@H](CC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000890759695 739827846 /nfs/dbraw/zinc/82/78/46/739827846.db2.gz OXRIXPNBTOCWBC-JTQLQIEISA-N -1 1 361.751 3.132 20 10 FGCDMM CC(C)(C)OC(=O)N1CC(CCC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890763115 739828280 /nfs/dbraw/zinc/82/82/80/739828280.db2.gz NQOOVNRQQARQOW-UHFFFAOYSA-N -1 1 368.861 3.309 20 10 FGCDMM CC(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])c(=O)[nH]1 ZINC000935663720 761917425 /nfs/dbraw/zinc/91/74/25/761917425.db2.gz WWHCGHCUUMGMGO-UHFFFAOYSA-N -1 1 365.227 3.309 20 10 FGCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(NC(=O)NC2CC2)cc1 ZINC000294804555 498811231 /nfs/dbraw/zinc/81/12/31/498811231.db2.gz IRLZIONSYOJHSZ-JTQLQIEISA-N -1 1 373.384 3.012 20 10 FGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](OCc3csc(C)n3)C2)c1O ZINC000372283471 499416377 /nfs/dbraw/zinc/41/63/77/499416377.db2.gz SVQFHWXXWOKAGT-INIZCTEOSA-N -1 1 364.442 3.290 20 10 FGCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nnn[n-]4)o3)SC2=S)c1 ZINC000822309178 599309942 /nfs/dbraw/zinc/30/99/42/599309942.db2.gz ONWPVUPNMKZVNZ-MDWZMJQESA-N -1 1 369.431 3.174 20 10 FGCDMM Cc1cccc(N2C(=O)C(=Cc3ccc(-c4nn[n-]n4)o3)SC2=S)c1 ZINC000822309178 599309945 /nfs/dbraw/zinc/30/99/45/599309945.db2.gz ONWPVUPNMKZVNZ-MDWZMJQESA-N -1 1 369.431 3.174 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccc(F)cc1 ZINC000823505000 599380888 /nfs/dbraw/zinc/38/08/88/599380888.db2.gz WSMHTJNUGYTYFE-KPKJPENVSA-N -1 1 373.394 3.005 20 10 FGCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccc(F)cc1 ZINC000823505000 599380891 /nfs/dbraw/zinc/38/08/91/599380891.db2.gz WSMHTJNUGYTYFE-KPKJPENVSA-N -1 1 373.394 3.005 20 10 FGCDMM COc1ccc2[nH]cc(C3=CCN(c4cccc(-c5nnn[n-]5)n4)CC3)c2c1 ZINC000737115309 599411515 /nfs/dbraw/zinc/41/15/15/599411515.db2.gz NSBYDTRWIPTETL-UHFFFAOYSA-N -1 1 373.420 3.045 20 10 FGCDMM COc1ccc2[nH]cc(C3=CCN(c4cccc(-c5nn[n-]n5)n4)CC3)c2c1 ZINC000737115309 599411517 /nfs/dbraw/zinc/41/15/17/599411517.db2.gz NSBYDTRWIPTETL-UHFFFAOYSA-N -1 1 373.420 3.045 20 10 FGCDMM O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000739638788 599853697 /nfs/dbraw/zinc/85/36/97/599853697.db2.gz BECKEFPGZCRJJR-HNNXBMFYSA-N -1 1 369.417 3.158 20 10 FGCDMM Cc1cc(O)ccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000324644616 600683626 /nfs/dbraw/zinc/68/36/26/600683626.db2.gz AEHCZFOCJRCWDT-UHFFFAOYSA-N -1 1 363.416 3.414 20 10 FGCDMM CCCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000177279225 705615631 /nfs/dbraw/zinc/61/56/31/705615631.db2.gz GSYQBQFOXFGYQV-OAHLLOKOSA-N -1 1 373.902 3.037 20 10 FGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(C(F)(F)F)ccc1F ZINC000184620959 712673960 /nfs/dbraw/zinc/67/39/60/712673960.db2.gz DTFLRPDFEYIPBX-UHFFFAOYSA-N -1 1 353.268 3.490 20 10 FGCDMM O=C(Cc1cc(Cl)ccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783323557 724747458 /nfs/dbraw/zinc/74/74/58/724747458.db2.gz QKCDFTOYAFKNHO-UHFFFAOYSA-N -1 1 355.173 3.373 20 10 FGCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000729279107 722458705 /nfs/dbraw/zinc/45/87/05/722458705.db2.gz ZFEGROLTYZNVSI-SECBINFHSA-N -1 1 366.211 3.360 20 10 FGCDMM C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Br)c(F)cc1[O-] ZINC000756382063 722963657 /nfs/dbraw/zinc/96/36/57/722963657.db2.gz QPMNGMATSQIPRN-VFZGTOFNSA-N -1 1 367.218 3.171 20 10 FGCDMM C[C@H](Nc1ccc(N2CCCS2(=O)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756798343 722970194 /nfs/dbraw/zinc/97/01/94/722970194.db2.gz YTOYZKDSJKMTIC-NSHDSACASA-N -1 1 368.405 3.383 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NCc1cc(F)ccc1F ZINC000764778929 723444985 /nfs/dbraw/zinc/44/49/85/723444985.db2.gz LABAADFBOFQVRF-UHFFFAOYSA-N -1 1 371.181 3.432 20 10 FGCDMM CCOC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764933053 723460715 /nfs/dbraw/zinc/46/07/15/723460715.db2.gz BSVRUZCHFUEUJN-UHFFFAOYSA-N -1 1 351.200 3.339 20 10 FGCDMM C[C@H](Sc1ccccn1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765728322 723535411 /nfs/dbraw/zinc/53/54/11/723535411.db2.gz HPEVZXPGUMULJE-JTQLQIEISA-N -1 1 367.268 3.347 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(=O)[nH]c(C2CC2)c1 ZINC000765732025 723535771 /nfs/dbraw/zinc/53/57/71/723535771.db2.gz OOXXBEYAAIUIED-UHFFFAOYSA-N -1 1 363.211 3.063 20 10 FGCDMM COCCC1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000765736071 723536601 /nfs/dbraw/zinc/53/66/01/723536601.db2.gz KQNGEUAKNWTNPJ-UHFFFAOYSA-N -1 1 356.260 3.368 20 10 FGCDMM CCn1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])c1Cl ZINC000765735275 723536639 /nfs/dbraw/zinc/53/66/39/723536639.db2.gz FZQDDFAEDAYRSY-UHFFFAOYSA-N -1 1 372.650 3.263 20 10 FGCDMM C[C@H]1C(=O)CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000765750405 723537958 /nfs/dbraw/zinc/53/79/58/723537958.db2.gz FZPWUVKDROFUJX-CMPLNLGQSA-N -1 1 368.271 3.412 20 10 FGCDMM Cc1cc(C)n([C@@H](C)CC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765753841 723538362 /nfs/dbraw/zinc/53/83/62/723538362.db2.gz QOHAQMJWSPKMEX-LBPRGKRZSA-N -1 1 366.259 3.236 20 10 FGCDMM COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000776002522 724095856 /nfs/dbraw/zinc/09/58/56/724095856.db2.gz UDJOAZSOBHFFKM-HZMBPMFUSA-N -1 1 356.260 3.237 20 10 FGCDMM COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000776002532 724096209 /nfs/dbraw/zinc/09/62/09/724096209.db2.gz UDJOAZSOBHFFKM-YGRLFVJLSA-N -1 1 356.260 3.237 20 10 FGCDMM CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776014321 724097343 /nfs/dbraw/zinc/09/73/43/724097343.db2.gz RINMFNCTZAWZHB-CHWSQXEVSA-N -1 1 362.253 3.242 20 10 FGCDMM O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000776744696 724178326 /nfs/dbraw/zinc/17/83/26/724178326.db2.gz NFVMGWVZNBHYRV-UHFFFAOYSA-N -1 1 362.190 3.198 20 10 FGCDMM O=C(Nc1ccccc1)C1(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000778219084 724312213 /nfs/dbraw/zinc/31/22/13/724312213.db2.gz YRHRCYAUFDFBRB-UHFFFAOYSA-N -1 1 361.785 3.215 20 10 FGCDMM O=S(=O)(NCc1cc(Cl)cc(Cl)c1[O-])c1c(F)cccc1F ZINC000805135528 725052342 /nfs/dbraw/zinc/05/23/42/725052342.db2.gz NCWSNWKSTZTITI-UHFFFAOYSA-N -1 1 368.188 3.456 20 10 FGCDMM COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809695422 725259521 /nfs/dbraw/zinc/25/95/21/725259521.db2.gz KZELEWFTZQNMMK-ZDUSSCGKSA-N -1 1 355.715 3.112 20 10 FGCDMM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@H](C)[S@@]1=O ZINC000809700469 725260311 /nfs/dbraw/zinc/26/03/11/725260311.db2.gz HDVLFAUQPCEDRB-SCLGINMFSA-N -1 1 360.317 3.195 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2ccc(=O)[nH]c21 ZINC000809798773 725269329 /nfs/dbraw/zinc/26/93/29/725269329.db2.gz RXLCWTPBXYVKCL-UHFFFAOYSA-N -1 1 373.206 3.339 20 10 FGCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@@H]1c1ccc(Br)cc1[O-] ZINC000877857057 736736522 /nfs/dbraw/zinc/73/65/22/736736522.db2.gz KVHCYDYGLVXUQS-ZDUSSCGKSA-N -1 1 355.276 3.410 20 10 FGCDMM CC(C)(C)OC(=O)NCCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759739 739827863 /nfs/dbraw/zinc/82/78/63/739827863.db2.gz QCTBBAQYOFWMTE-UHFFFAOYSA-N -1 1 356.850 3.357 20 10 FGCDMM O=C(NCC[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1cccc(Cl)c1[O-] ZINC000896649490 742576936 /nfs/dbraw/zinc/57/69/36/742576936.db2.gz JGUZQURMRSQGNB-PWSUYJOCSA-N -1 1 366.767 3.345 20 10 FGCDMM COc1ccc(OCc2nc(C=C3SC(=S)[N-]C3=O)cs2)cc1 ZINC000920062888 758506233 /nfs/dbraw/zinc/50/62/33/758506233.db2.gz CCWODESCFIESBQ-WUXMJOGZSA-N -1 1 364.473 3.220 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN[C@@H]([C@@H]2CCOC2)C(F)(F)F)c1[O-] ZINC000933012708 761300851 /nfs/dbraw/zinc/30/08/51/761300851.db2.gz KIWIWOXPWFNHEZ-OTYXRUKQSA-N -1 1 351.752 3.305 20 10 FGCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nc(C(C)(C)C)[n-]c1=O ZINC000161799322 496239458 /nfs/dbraw/zinc/23/94/58/496239458.db2.gz QVUXZPXJBJLSOS-UHFFFAOYSA-N -1 1 370.497 3.104 20 10 FGCDMM COc1c([O-])c(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278166016 497026105 /nfs/dbraw/zinc/02/61/05/497026105.db2.gz FESOUENRGZMSTD-XHDPSFHLSA-N -1 1 364.423 3.333 20 10 FGCDMM COc1c([O-])c(CNCc2ncc(-c3ccccc3)cn2)ccc1[N+](=O)[O-] ZINC000365824239 498656841 /nfs/dbraw/zinc/65/68/41/498656841.db2.gz MRTGSZWCFYOYDR-UHFFFAOYSA-N -1 1 366.377 3.056 20 10 FGCDMM [O-]c1c(Cl)cccc1CNCc1nnc2n1C[C@H](C(F)(F)F)CC2 ZINC000370367696 499213749 /nfs/dbraw/zinc/21/37/49/499213749.db2.gz WJUYDOQKOIVECR-SNVBAGLBSA-N -1 1 360.767 3.052 20 10 FGCDMM CCOc1ccc(O)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000833663642 604637206 /nfs/dbraw/zinc/63/72/06/604637206.db2.gz ZQNVVRHAMPABTG-UHFFFAOYSA-N -1 1 365.813 3.237 20 10 FGCDMM O=C1[N-]C(=S)SC1=Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000110129936 700538849 /nfs/dbraw/zinc/53/88/49/700538849.db2.gz IPCDRXMDRKGWOO-BJMVGYQFSA-N -1 1 366.265 3.328 20 10 FGCDMM CN(C)c1ccc(CNC(=O)c2ccc(Br)c([O-])c2)cc1F ZINC000133331281 700837044 /nfs/dbraw/zinc/83/70/44/700837044.db2.gz CVXQWYVWFSOGHT-UHFFFAOYSA-N -1 1 367.218 3.290 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000215668454 713567913 /nfs/dbraw/zinc/56/79/13/713567913.db2.gz ZERWHESQTVPZOD-ONNFQVAWSA-N -1 1 357.247 3.063 20 10 FGCDMM COC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CCCCC1 ZINC000755127728 722950483 /nfs/dbraw/zinc/95/04/83/722950483.db2.gz ZXSGGVVWMLDQTF-INIZCTEOSA-N -1 1 353.846 3.460 20 10 FGCDMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cn1 ZINC000758168482 722985407 /nfs/dbraw/zinc/98/54/07/722985407.db2.gz VHUOQIYSYXQOEV-UHFFFAOYSA-N -1 1 350.440 3.419 20 10 FGCDMM O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1c([O-])c(O)ccc1F ZINC000789998026 723092749 /nfs/dbraw/zinc/09/27/49/723092749.db2.gz SFFIYKJAPWQMTC-SECBINFHSA-N -1 1 368.767 3.038 20 10 FGCDMM O=C(NCCSC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000764762481 723443434 /nfs/dbraw/zinc/44/34/34/723443434.db2.gz GLEWGNKZXKULRJ-UHFFFAOYSA-N -1 1 373.194 3.207 20 10 FGCDMM CCSCC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764790927 723446314 /nfs/dbraw/zinc/44/63/14/723446314.db2.gz KSHLEUOOICGVNQ-JTQLQIEISA-N -1 1 361.305 3.486 20 10 FGCDMM Cc1cc(C)n(-c2cncc(NCc3cccc(Br)c3[O-])n2)n1 ZINC000764934812 723460822 /nfs/dbraw/zinc/46/08/22/723460822.db2.gz MQFITWKNJKSCSV-UHFFFAOYSA-N -1 1 374.242 3.359 20 10 FGCDMM CC[C@H](C)CC[C@H](O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000793967916 723479328 /nfs/dbraw/zinc/47/93/28/723479328.db2.gz GVXUWOYPXFJAEI-AAEUAGOBSA-N -1 1 358.276 3.348 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc([N+](=O)[O-])cc1 ZINC000765350359 723507651 /nfs/dbraw/zinc/50/76/51/723507651.db2.gz XRMRMPYZRUPNTO-UHFFFAOYSA-N -1 1 366.171 3.385 20 10 FGCDMM CCc1cnccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765536458 723521850 /nfs/dbraw/zinc/52/18/50/723521850.db2.gz NHGYFDZABAFIAD-UHFFFAOYSA-N -1 1 364.243 3.112 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2nccnc2c1 ZINC000765726340 723535404 /nfs/dbraw/zinc/53/54/04/723535404.db2.gz GBLBYVRXAURTLR-UHFFFAOYSA-N -1 1 358.195 3.028 20 10 FGCDMM Cc1sc(C(=O)NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000765732720 723536324 /nfs/dbraw/zinc/53/63/24/723536324.db2.gz RVIUHVYEVPFKIR-UHFFFAOYSA-N -1 1 371.212 3.363 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Br)c[nH]1 ZINC000765755160 723538348 /nfs/dbraw/zinc/53/83/48/723538348.db2.gz HDAAETQXQLFHJI-UHFFFAOYSA-N -1 1 374.032 3.175 20 10 FGCDMM COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)cc(F)c1[O-] ZINC000768266347 723652312 /nfs/dbraw/zinc/65/23/12/723652312.db2.gz QFMWTRWWWOLMMF-INIZCTEOSA-N -1 1 350.777 3.398 20 10 FGCDMM CN1CCN(c2ccc(/C=C\c3ncc(/C=C/C(=O)[O-])s3)cc2)CC1 ZINC000771524329 723736961 /nfs/dbraw/zinc/73/69/61/723736961.db2.gz IHYUVFWOQHFFMT-FBFSCSHHSA-N -1 1 355.463 3.163 20 10 FGCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)c(C)c1O ZINC000775291823 723977256 /nfs/dbraw/zinc/97/72/56/723977256.db2.gz PRVKQVZJFYSIJI-UHFFFAOYSA-N -1 1 369.826 3.470 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cc2ccccn2n1 ZINC000806649643 725139473 /nfs/dbraw/zinc/13/94/73/725139473.db2.gz GHNICWVYBXYFDX-UHFFFAOYSA-N -1 1 361.199 3.124 20 10 FGCDMM O=C(NCc1cccc(Br)c1O)c1c(F)ccc([O-])c1F ZINC000809797692 725269266 /nfs/dbraw/zinc/26/92/66/725269266.db2.gz BVGZYJHZRWSHFE-UHFFFAOYSA-N -1 1 358.138 3.069 20 10 FGCDMM O=C(Cn1cc(NCc2cc(Cl)c(F)cc2[O-])cn1)NC1CCCC1 ZINC000816563014 727176083 /nfs/dbraw/zinc/17/60/83/727176083.db2.gz HHTWBTJJSZZFQT-UHFFFAOYSA-N -1 1 366.824 3.052 20 10 FGCDMM C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccc(Br)cc1O)C[C@H](C)O2 ZINC000825754079 729394109 /nfs/dbraw/zinc/39/41/09/729394109.db2.gz ZJWAQNJHHMZRMS-IGCXYCKISA-N -1 1 370.287 3.313 20 10 FGCDMM COc1c([O-])c(C[N@@H+]2C[C@H](C)OC3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000848928953 731222218 /nfs/dbraw/zinc/22/22/18/731222218.db2.gz QKFHSPFTDZRJGW-ZDUSSCGKSA-N -1 1 350.415 3.233 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000849309744 731245760 /nfs/dbraw/zinc/24/57/60/731245760.db2.gz LBZFVESXVLMJCU-QGZVFWFLSA-N -1 1 357.472 3.128 20 10 FGCDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])[C@H](C)NC(=O)OC(C)(C)C ZINC000890759213 739827685 /nfs/dbraw/zinc/82/76/85/739827685.db2.gz GVOPMINLSKWCFU-MNOVXSKESA-N -1 1 356.850 3.211 20 10 FGCDMM C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])n1cc(Br)cn1 ZINC000890761220 739828497 /nfs/dbraw/zinc/82/84/97/739828497.db2.gz NMZRUBFQPOBAMG-VIFPVBQESA-N -1 1 372.650 3.272 20 10 FGCDMM Nc1nc(NCc2cccc(Cl)c2[O-])nc(C(F)(F)C(F)(F)F)n1 ZINC000897391820 742674911 /nfs/dbraw/zinc/67/49/11/742674911.db2.gz CAASLWBCHUJCLB-UHFFFAOYSA-N -1 1 369.681 3.079 20 10 FGCDMM CC(C)[C@@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000935662131 761916754 /nfs/dbraw/zinc/91/67/54/761916754.db2.gz BVHIHYWMRWCPJD-RISCZKNCSA-N -1 1 356.260 3.222 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC2CCC2)c2ccccc2)c1 ZINC000179768499 495726404 /nfs/dbraw/zinc/72/64/04/495726404.db2.gz WFGQSMODRBDEGX-UHFFFAOYSA-N -1 1 374.462 3.211 20 10 FGCDMM C[C@H](NCc1nnc2n1CCCC2)c1cc(Br)cc(F)c1[O-] ZINC000183846193 496135280 /nfs/dbraw/zinc/13/52/80/496135280.db2.gz XPOYWRPJGLGERN-VIFPVBQESA-N -1 1 369.238 3.072 20 10 FGCDMM Cc1ncc(C(=O)NCc2cccc(Br)c2[O-])c(C(C)C)n1 ZINC000277532965 496804033 /nfs/dbraw/zinc/80/40/33/496804033.db2.gz MQKMIALOFIBLFA-UHFFFAOYSA-N -1 1 364.243 3.307 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCc2cccnc21 ZINC000278003862 496968251 /nfs/dbraw/zinc/96/82/51/496968251.db2.gz RASSUMNNWQXHFD-CYBMUJFWSA-N -1 1 361.239 3.286 20 10 FGCDMM CCc1onc(C)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278027193 496977589 /nfs/dbraw/zinc/97/75/89/496977589.db2.gz LGXKKBLHFYHHQP-UHFFFAOYSA-N -1 1 354.204 3.335 20 10 FGCDMM COc1c(O)c(C[NH2+]Cc2cc(Cl)cc3c2OCC3)ccc1[N+](=O)[O-] ZINC000278501720 497136508 /nfs/dbraw/zinc/13/65/08/497136508.db2.gz NWNGFPROVPFWHG-UHFFFAOYSA-N -1 1 364.785 3.187 20 10 FGCDMM COc1ccccc1OCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738136709 600144214 /nfs/dbraw/zinc/14/42/14/600144214.db2.gz RTAHXQZQROZMPP-UHFFFAOYSA-N -1 1 365.813 3.020 20 10 FGCDMM COc1ccccc1OCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000738136709 600144217 /nfs/dbraw/zinc/14/42/17/600144217.db2.gz RTAHXQZQROZMPP-UHFFFAOYSA-N -1 1 365.813 3.020 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCC(NC(=O)[O-])CC2)c1[O-] ZINC000823626752 603970381 /nfs/dbraw/zinc/97/03/81/603970381.db2.gz BZEYNSINXLFCLP-UHFFFAOYSA-N -1 1 354.834 3.259 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[O-] ZINC000823628938 604245431 /nfs/dbraw/zinc/24/54/31/604245431.db2.gz ZSAPUYKJTDIYMQ-ZYHUDNBSSA-N -1 1 354.834 3.116 20 10 FGCDMM O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000318973936 604462482 /nfs/dbraw/zinc/46/24/82/604462482.db2.gz NDYRHUVAYXRVHF-HNNXBMFYSA-N -1 1 362.223 3.166 20 10 FGCDMM O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000318973936 604462484 /nfs/dbraw/zinc/46/24/84/604462484.db2.gz NDYRHUVAYXRVHF-HNNXBMFYSA-N -1 1 362.223 3.166 20 10 FGCDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000111995291 700553203 /nfs/dbraw/zinc/55/32/03/700553203.db2.gz LIMPYJGKRYYKDZ-UHFFFAOYSA-N -1 1 361.423 3.304 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ccc1O ZINC000156397814 705114190 /nfs/dbraw/zinc/11/41/90/705114190.db2.gz HLZBQBAYMRCRKV-UHFFFAOYSA-N -1 1 356.787 3.371 20 10 FGCDMM Cc1nn(-c2ccc(F)cc2F)c(C)c1C=C1SC(=S)[N-]C1=O ZINC000255406040 713695076 /nfs/dbraw/zinc/69/50/76/713695076.db2.gz ZMQVEZRUXIPBED-AWNIVKPZSA-N -1 1 351.403 3.256 20 10 FGCDMM Cc1cc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc(C)c1Cl ZINC000784201804 724831978 /nfs/dbraw/zinc/83/19/78/724831978.db2.gz SDNDBFFBYWZNEV-UHFFFAOYSA-N -1 1 364.781 3.173 20 10 FGCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000734483706 722507828 /nfs/dbraw/zinc/50/78/28/722507828.db2.gz QXIBIHPPTNCUOH-PXNMLYILSA-N -1 1 372.471 3.354 20 10 FGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000747653425 722654546 /nfs/dbraw/zinc/65/45/46/722654546.db2.gz CBMUHHGXUSJOCA-UHFFFAOYSA-N -1 1 373.360 3.006 20 10 FGCDMM COC(=O)c1ccc([O-])c([C@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000756851841 722970791 /nfs/dbraw/zinc/97/07/91/722970791.db2.gz VWUQQBHYLZJZDO-LRDDRELGSA-N -1 1 351.443 3.196 20 10 FGCDMM CS(=O)(=O)N1CCc2c1cccc2NCc1cc(Cl)cc(F)c1[O-] ZINC000757993114 722982584 /nfs/dbraw/zinc/98/25/84/722982584.db2.gz ISRPWUNIJVSNGT-UHFFFAOYSA-N -1 1 370.833 3.119 20 10 FGCDMM C/C=C/C[C@H](NCc1cc(C)cc(Br)c1[O-])C(=O)OCC ZINC000763359966 723336465 /nfs/dbraw/zinc/33/64/65/723336465.db2.gz ULHREXUQXVXJCV-YVZNUBBCSA-N -1 1 356.260 3.451 20 10 FGCDMM CCOC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000793349738 723427625 /nfs/dbraw/zinc/42/76/25/723427625.db2.gz VADUDYOEORWYPG-UHFFFAOYSA-N -1 1 355.799 3.023 20 10 FGCDMM CO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000764791939 723446285 /nfs/dbraw/zinc/44/62/85/723446285.db2.gz PSEFAQXZSWLNAV-LBPRGKRZSA-N -1 1 359.264 3.015 20 10 FGCDMM CCC1(O)CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764805945 723448712 /nfs/dbraw/zinc/44/87/12/723448712.db2.gz MEWVCVOXDXQCHY-UHFFFAOYSA-N -1 1 371.275 3.038 20 10 FGCDMM COCc1ccsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765731080 723535905 /nfs/dbraw/zinc/53/59/05/723535905.db2.gz GEYJJABRQCKQQO-UHFFFAOYSA-N -1 1 356.241 3.293 20 10 FGCDMM CCc1ccccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765736077 723536685 /nfs/dbraw/zinc/53/66/85/723536685.db2.gz KVWBWCVOYGGQHK-UHFFFAOYSA-N -1 1 364.239 3.412 20 10 FGCDMM COc1cccc(F)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751161 723537788 /nfs/dbraw/zinc/53/77/88/723537788.db2.gz QDWSCFXNLAITCP-UHFFFAOYSA-N -1 1 354.175 3.232 20 10 FGCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000765765131 723539198 /nfs/dbraw/zinc/53/91/98/723539198.db2.gz NXSYNQHYXFKFFW-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000775291591 723977167 /nfs/dbraw/zinc/97/71/67/723977167.db2.gz NFSWHAJODYSINW-UHFFFAOYSA-N -1 1 367.398 3.044 20 10 FGCDMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cccc2nsnc21 ZINC000799185165 723996265 /nfs/dbraw/zinc/99/62/65/723996265.db2.gz FNJBLXIXVFRDSR-UHFFFAOYSA-N -1 1 367.839 3.080 20 10 FGCDMM NC(=O)N1CCc2ccc(NCc3cccc(Br)c3[O-])cc21 ZINC000785573566 724922362 /nfs/dbraw/zinc/92/23/62/724922362.db2.gz YTTIYDWWUKYNFQ-UHFFFAOYSA-N -1 1 362.227 3.208 20 10 FGCDMM CC[C@H](Oc1ccccc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000786584093 724990202 /nfs/dbraw/zinc/99/02/02/724990202.db2.gz FIDVVWHXTIMPIS-INIZCTEOSA-N -1 1 364.781 3.335 20 10 FGCDMM CCOC(=O)CC(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000807416531 725160908 /nfs/dbraw/zinc/16/09/08/725160908.db2.gz HXKHYNMYZIJHNZ-UHFFFAOYSA-N -1 1 372.259 3.140 20 10 FGCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cc1 ZINC000811705279 725377288 /nfs/dbraw/zinc/37/72/88/725377288.db2.gz RKOZEVCMKFKYFM-UHFFFAOYSA-N -1 1 363.435 3.321 20 10 FGCDMM CNC(=O)Oc1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000813792068 726914655 /nfs/dbraw/zinc/91/46/55/726914655.db2.gz ZRCHXFIKZLVKII-UHFFFAOYSA-N -1 1 351.200 3.485 20 10 FGCDMM [O-]c1c(Cl)cccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826510942 729408342 /nfs/dbraw/zinc/40/83/42/729408342.db2.gz TVGYMUOECUGNFG-UHFFFAOYSA-N -1 1 355.829 3.390 20 10 FGCDMM CCOC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000836480530 729957179 /nfs/dbraw/zinc/95/71/79/729957179.db2.gz CCWMKGRSDLHLLK-UHFFFAOYSA-N -1 1 371.275 3.303 20 10 FGCDMM C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cc(Br)c(F)cc1[O-] ZINC000850498873 731364803 /nfs/dbraw/zinc/36/48/03/731364803.db2.gz FEURDYSQOUUHDE-LWINAJNOSA-N -1 1 355.211 3.242 20 10 FGCDMM Cn1nccc1C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccnn1C ZINC000858321760 732203082 /nfs/dbraw/zinc/20/30/82/732203082.db2.gz MVNHQIRUIUPWMC-UHFFFAOYSA-N -1 1 366.252 3.045 20 10 FGCDMM CCC[C@H](CNC(=O)NCc1cccc(Br)c1[O-])OCC ZINC000858682780 732238219 /nfs/dbraw/zinc/23/82/19/732238219.db2.gz OYNBQTXBUFINRN-GFCCVEGCSA-N -1 1 359.264 3.159 20 10 FGCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000883887755 737612557 /nfs/dbraw/zinc/61/25/57/737612557.db2.gz STRFVQGFADJZEN-JSGCOSHPSA-N -1 1 371.275 3.159 20 10 FGCDMM CC(=O)N[C@H](CC(=O)NCc1cccc(Cl)c1[O-])c1ccc(C)cc1 ZINC000890757524 739827502 /nfs/dbraw/zinc/82/75/02/739827502.db2.gz GWIGZYUVFDRZRI-QGZVFWFLSA-N -1 1 360.841 3.238 20 10 FGCDMM Cc1nc([C@H]2CCOC2)sc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763418 739829302 /nfs/dbraw/zinc/82/93/02/739829302.db2.gz WCZDHDBPLYSPRB-NSHDSACASA-N -1 1 352.843 3.244 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000895239120 742390741 /nfs/dbraw/zinc/39/07/41/742390741.db2.gz RWROEJORFYTYIX-CZUORRHYSA-N -1 1 361.829 3.160 20 10 FGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2nc3c(s2)CCC3)CC1 ZINC000900698768 743151454 /nfs/dbraw/zinc/15/14/54/743151454.db2.gz APGKNMCKFAUEBW-UHFFFAOYSA-N -1 1 362.426 3.202 20 10 FGCDMM CO[C@H](CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl)C1CCCC1 ZINC000901962729 743687191 /nfs/dbraw/zinc/68/71/91/743687191.db2.gz LNFDOPKWLHANEY-CQSZACIVSA-N -1 1 351.827 3.132 20 10 FGCDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901962750 743687236 /nfs/dbraw/zinc/68/72/36/743687236.db2.gz MJNSJKBDESKOIX-UHFFFAOYSA-N -1 1 361.826 3.380 20 10 FGCDMM CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294503135 498711473 /nfs/dbraw/zinc/71/14/73/498711473.db2.gz BOTFMOMFNMCYEJ-ZDUSSCGKSA-N -1 1 366.820 3.298 20 10 FGCDMM O=S(=O)([N-]c1cc(F)c(F)cc1Cl)c1cccc2nsnc21 ZINC000530868051 504113460 /nfs/dbraw/zinc/11/34/60/504113460.db2.gz GFOYDNBAXLSOLI-UHFFFAOYSA-N -1 1 361.782 3.424 20 10 FGCDMM CCN(Cc1ccc(N(C)C)cc1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821221558 607305253 /nfs/dbraw/zinc/30/52/53/607305253.db2.gz JZTSFWRKIFUUHI-UHFFFAOYSA-N -1 1 357.849 3.008 20 10 FGCDMM CCN(Cc1ccc(N(C)C)cc1)c1ccc(Cl)c(-c2nn[n-]n2)n1 ZINC000821221558 607305254 /nfs/dbraw/zinc/30/52/54/607305254.db2.gz JZTSFWRKIFUUHI-UHFFFAOYSA-N -1 1 357.849 3.008 20 10 FGCDMM C[C@H](C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1)C(=O)[O-] ZINC000736585137 599852967 /nfs/dbraw/zinc/85/29/67/599852967.db2.gz UXFSFQWFLCEBAW-CYBMUJFWSA-N -1 1 369.417 3.014 20 10 FGCDMM CC(C)N(CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1ccc(N(C)C)cc1 ZINC000826935549 604967887 /nfs/dbraw/zinc/96/78/87/604967887.db2.gz FVIKBEPSMUNLPF-UHFFFAOYSA-N -1 1 369.465 3.300 20 10 FGCDMM COc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3[O-])CC2)cc1F ZINC000134101974 704812597 /nfs/dbraw/zinc/81/25/97/704812597.db2.gz XULDORNMVUOZAP-UHFFFAOYSA-N -1 1 364.804 3.156 20 10 FGCDMM COc1ccc(C(=O)[N-]C(=O)CSc2ncc(C(C)(C)C)s2)cc1 ZINC000164219370 705326885 /nfs/dbraw/zinc/32/68/85/705326885.db2.gz JMZSMZNZBBKIEU-UHFFFAOYSA-N -1 1 364.492 3.498 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c(C)c1O ZINC000187062759 712731946 /nfs/dbraw/zinc/73/19/46/712731946.db2.gz MAMKKOBZITWCQD-UHFFFAOYSA-N -1 1 350.396 3.335 20 10 FGCDMM O=C1/C(=C/c2cc(F)c([O-])c(F)c2)SC(=S)N1c1cccnc1 ZINC000254982173 713679044 /nfs/dbraw/zinc/67/90/44/713679044.db2.gz OWEQZUNOCBQVIP-SDQBBNPISA-N -1 1 350.371 3.471 20 10 FGCDMM O=S(=O)([N-]c1ccc(-c2ccco2)cc1F)c1cccc2nonc21 ZINC000782542300 724681214 /nfs/dbraw/zinc/68/12/14/724681214.db2.gz SDFYYBOZDNFZDZ-UHFFFAOYSA-N -1 1 359.338 3.423 20 10 FGCDMM O=C(Cc1c[nH]c2cc(Cl)ccc12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783436983 724754297 /nfs/dbraw/zinc/75/42/97/724754297.db2.gz MDBXRTJNUBRBDK-UHFFFAOYSA-N -1 1 359.765 3.201 20 10 FGCDMM COc1ccc(N2CCC(NC(=O)c3c([O-])cccc3Cl)CC2)cc1 ZINC000726627403 722436638 /nfs/dbraw/zinc/43/66/38/722436638.db2.gz JMIQUZFPAWSSRI-UHFFFAOYSA-N -1 1 360.841 3.453 20 10 FGCDMM COC(=O)c1ccc([O-])c([C@@H](C)N[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000756851843 722970776 /nfs/dbraw/zinc/97/07/76/722970776.db2.gz VWUQQBHYLZJZDO-WBMJQRKESA-N -1 1 351.443 3.196 20 10 FGCDMM O=C(NCCc1ccc(F)c(Br)c1)c1c([O-])c(O)ccc1F ZINC000789958010 723088193 /nfs/dbraw/zinc/08/81/93/723088193.db2.gz JYWMOZCZZHNCSZ-UHFFFAOYSA-N -1 1 372.165 3.111 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000792703545 723358839 /nfs/dbraw/zinc/35/88/39/723358839.db2.gz YXGHIWQEYZFQKY-SNVBAGLBSA-N -1 1 351.449 3.238 20 10 FGCDMM CO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000764791937 723446267 /nfs/dbraw/zinc/44/62/67/723446267.db2.gz PSEFAQXZSWLNAV-GFCCVEGCSA-N -1 1 359.264 3.015 20 10 FGCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccncc1 ZINC000764788919 723446281 /nfs/dbraw/zinc/44/62/81/723446281.db2.gz CSQLUVNXIONPSC-NSHDSACASA-N -1 1 364.243 3.153 20 10 FGCDMM CC1(C)C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C(C)(C)O1 ZINC000764804337 723448295 /nfs/dbraw/zinc/44/82/95/723448295.db2.gz FIANJJYENGADBI-GFCCVEGCSA-N -1 1 371.275 3.300 20 10 FGCDMM Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000765726338 723535673 /nfs/dbraw/zinc/53/56/73/723535673.db2.gz FZFBFHMTYXEVBN-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](F)Cc1ccccc1 ZINC000765729645 723535970 /nfs/dbraw/zinc/53/59/70/723535970.db2.gz RALNNNFVTYELBP-AWEZNQCLSA-N -1 1 352.203 3.352 20 10 FGCDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1C ZINC000765732118 723536080 /nfs/dbraw/zinc/53/60/80/723536080.db2.gz PVTIQDPYLWUFGI-UHFFFAOYSA-N -1 1 350.212 3.402 20 10 FGCDMM Cc1cc(C)cc(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765732539 723536225 /nfs/dbraw/zinc/53/62/25/723536225.db2.gz QKBNTTSVBDHBHY-UHFFFAOYSA-N -1 1 364.239 3.467 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccn(C2CCCC2)n1 ZINC000765746070 723537330 /nfs/dbraw/zinc/53/73/30/723537330.db2.gz CQDYSCRMIYCKRU-UHFFFAOYSA-N -1 1 364.243 3.396 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cncn1-c1ccccc1 ZINC000765751986 723538204 /nfs/dbraw/zinc/53/82/04/723538204.db2.gz CLRBUCZWMPPNPH-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM CCc1noc(CC)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765758390 723538626 /nfs/dbraw/zinc/53/86/26/723538626.db2.gz VYVQDFMJWWFEAO-UHFFFAOYSA-N -1 1 367.243 3.126 20 10 FGCDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000765769133 723539777 /nfs/dbraw/zinc/53/97/77/723539777.db2.gz IVMJUVCFRQLVKP-UHFFFAOYSA-N -1 1 354.175 3.232 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN[C@H](c2cnn(C)c2)C(F)(F)F)c1[O-] ZINC000773985882 723846403 /nfs/dbraw/zinc/84/64/03/723846403.db2.gz MLXIFRIRSMXPRD-CQSZACIVSA-N -1 1 361.751 3.375 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)ccc1O ZINC000797820044 723866207 /nfs/dbraw/zinc/86/62/07/723866207.db2.gz CYCLEYABPHAJFF-UHFFFAOYSA-N -1 1 363.435 3.430 20 10 FGCDMM O=C(c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1)N1CCOCC1 ZINC000798080577 723902821 /nfs/dbraw/zinc/90/28/21/723902821.db2.gz ZZUCMQXMUYRVFY-UHFFFAOYSA-N -1 1 364.804 3.269 20 10 FGCDMM Cc1cc(C[C@@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n[nH]1 ZINC000805219399 725056815 /nfs/dbraw/zinc/05/68/15/725056815.db2.gz JFLDYZKDGAUMOR-MRVPVSSYSA-N -1 1 357.241 3.161 20 10 FGCDMM Cc1ccnc(C)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000806537900 725132222 /nfs/dbraw/zinc/13/22/22/725132222.db2.gz XPRUAIHOTINXLI-UHFFFAOYSA-N -1 1 350.216 3.488 20 10 FGCDMM COCc1cnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000806609955 725137658 /nfs/dbraw/zinc/13/76/58/725137658.db2.gz ISEPKNLKCMASNH-UHFFFAOYSA-N -1 1 372.244 3.079 20 10 FGCDMM COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000809695421 725259563 /nfs/dbraw/zinc/25/95/63/725259563.db2.gz KZELEWFTZQNMMK-CYBMUJFWSA-N -1 1 355.715 3.112 20 10 FGCDMM NC(=O)c1ccc(OCC(F)F)c(NCc2cccc(Cl)c2[O-])c1 ZINC000811520847 725372326 /nfs/dbraw/zinc/37/23/26/725372326.db2.gz VQADQMCFPWGWTJ-UHFFFAOYSA-N -1 1 356.756 3.401 20 10 FGCDMM CN(C)S(=O)(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816570723 727176807 /nfs/dbraw/zinc/17/68/07/727176807.db2.gz FOBKMJWAOOGLEV-UHFFFAOYSA-N -1 1 358.822 3.047 20 10 FGCDMM [O-]c1c(F)cc(Cl)cc1CN1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000824636106 729352049 /nfs/dbraw/zinc/35/20/49/729352049.db2.gz LUTZRTJEJIWGCY-YJBOKZPZSA-N -1 1 353.796 3.485 20 10 FGCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[C@H]1F ZINC000827776299 729434601 /nfs/dbraw/zinc/43/46/01/729434601.db2.gz PRSUJBHWIRKEKX-ZIAGYGMSSA-N -1 1 358.841 3.483 20 10 FGCDMM CC1(C)Cc2n[nH]cc2CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000828014050 729438478 /nfs/dbraw/zinc/43/84/78/729438478.db2.gz RVPWUZDKWVOBBV-UHFFFAOYSA-N -1 1 350.806 3.261 20 10 FGCDMM O=C([O-])C1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000840992512 730201697 /nfs/dbraw/zinc/20/16/97/730201697.db2.gz RMHQJRGFEDMVJW-UHFFFAOYSA-N -1 1 361.225 3.142 20 10 FGCDMM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1Cl ZINC000864514784 733070716 /nfs/dbraw/zinc/07/07/16/733070716.db2.gz VLJMIEOZHIKDDQ-SFHVURJKSA-N -1 1 360.841 3.092 20 10 FGCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCCO1 ZINC000867830663 733522054 /nfs/dbraw/zinc/52/20/54/733522054.db2.gz FSDJWQJEVHKPHK-CYBMUJFWSA-N -1 1 356.260 3.366 20 10 FGCDMM CCCS(=O)(=O)Nc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883058673 737516561 /nfs/dbraw/zinc/51/65/61/737516561.db2.gz XWWVGZXHERYTKS-UHFFFAOYSA-N -1 1 356.394 3.434 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCN(c2ccccc2)C1 ZINC000891982533 739957096 /nfs/dbraw/zinc/95/70/96/739957096.db2.gz IRUYZLQAYVILAU-AWEZNQCLSA-N -1 1 359.857 3.371 20 10 FGCDMM O=C1CCCN1[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894545627 742297612 /nfs/dbraw/zinc/29/76/12/742297612.db2.gz SKPBLNQOPHXALC-LBPRGKRZSA-N -1 1 373.678 3.005 20 10 FGCDMM Cn1cc(S(=O)(=O)[N-]c2ccc(O)cc2Cl)c(C2CCCC2)n1 ZINC000901936188 743682351 /nfs/dbraw/zinc/68/23/51/743682351.db2.gz GRAHJCDFZYSWIJ-UHFFFAOYSA-N -1 1 355.847 3.238 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN[C@H]([C@H]2CCOC2)C(F)(F)F)c1[O-] ZINC000933012706 761300941 /nfs/dbraw/zinc/30/09/41/761300941.db2.gz KIWIWOXPWFNHEZ-LKFCYVNXSA-N -1 1 351.752 3.305 20 10 FGCDMM C[C@H]1C[C@@H](CCNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277443757 496774714 /nfs/dbraw/zinc/77/47/14/496774714.db2.gz MTMSIWYPYJQCFZ-RYUDHWBXSA-N -1 1 371.275 3.159 20 10 FGCDMM CC(C)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000278454106 497120245 /nfs/dbraw/zinc/12/02/45/497120245.db2.gz XWZDINNCTQEGEJ-INIZCTEOSA-N -1 1 374.462 3.164 20 10 FGCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](OCc3csc(C)n3)C2)c1O ZINC000372283472 499416324 /nfs/dbraw/zinc/41/63/24/499416324.db2.gz SVQFHWXXWOKAGT-MRXNPFEDSA-N -1 1 364.442 3.290 20 10 FGCDMM O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739658277 600702996 /nfs/dbraw/zinc/70/29/96/600702996.db2.gz OFQJCPCDTPQJJU-GFCCVEGCSA-N -1 1 361.463 3.409 20 10 FGCDMM O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739658277 600702997 /nfs/dbraw/zinc/70/29/97/600702997.db2.gz OFQJCPCDTPQJJU-GFCCVEGCSA-N -1 1 361.463 3.409 20 10 FGCDMM Clc1nsc(NCCCSc2nccs2)c1-c1nnn[n-]1 ZINC000826354279 607521795 /nfs/dbraw/zinc/52/17/95/607521795.db2.gz WNZKWMSYUYQPTP-UHFFFAOYSA-N -1 1 359.893 3.027 20 10 FGCDMM Clc1nsc(NCCCSc2nccs2)c1-c1nn[n-]n1 ZINC000826354279 607521796 /nfs/dbraw/zinc/52/17/96/607521796.db2.gz WNZKWMSYUYQPTP-UHFFFAOYSA-N -1 1 359.893 3.027 20 10 FGCDMM C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H]1CCCN(C(=O)[O-])C1 ZINC000739030922 602002382 /nfs/dbraw/zinc/00/23/82/602002382.db2.gz HGQNUNBYCNSILE-WDEREUQCSA-N -1 1 357.248 3.023 20 10 FGCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1[N+](=O)[O-] ZINC000111995334 700553276 /nfs/dbraw/zinc/55/32/76/700553276.db2.gz OZWJTDXWFCEGLL-UHFFFAOYSA-N -1 1 361.423 3.304 20 10 FGCDMM O=S(=O)([N-]Cc1ccc(N2CCCCC2)cc1)c1cc(F)ccc1F ZINC000116038673 700590509 /nfs/dbraw/zinc/59/05/09/700590509.db2.gz HZOAPWFABGCSJP-UHFFFAOYSA-N -1 1 366.433 3.434 20 10 FGCDMM CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179960599 705722296 /nfs/dbraw/zinc/72/22/96/705722296.db2.gz ZJQNYCITWYYLQC-JTQLQIEISA-N -1 1 356.806 3.117 20 10 FGCDMM Cc1ccc(Cl)c(O[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000783056131 724719114 /nfs/dbraw/zinc/71/91/14/724719114.db2.gz MHVMNGIPQBOQEW-NSHDSACASA-N -1 1 364.781 3.253 20 10 FGCDMM C[C@@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1nncn1C ZINC000756533646 722966325 /nfs/dbraw/zinc/96/63/25/722966325.db2.gz JVPQVGKVOKVFJV-JGVFFNPUSA-N -1 1 359.655 3.348 20 10 FGCDMM C[C@H](N[C@@H](C)c1cc(Br)c(F)cc1[O-])c1nnnn1C1CC1 ZINC000790754720 723174303 /nfs/dbraw/zinc/17/43/03/723174303.db2.gz JGCSBHGWZBIMTD-YUMQZZPRSA-N -1 1 370.226 3.027 20 10 FGCDMM CCc1cnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765303940 723504476 /nfs/dbraw/zinc/50/44/76/723504476.db2.gz OQCGQXYKYVSLLY-UHFFFAOYSA-N -1 1 356.245 3.495 20 10 FGCDMM CCC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000794595126 723533831 /nfs/dbraw/zinc/53/38/31/723533831.db2.gz KOLKIUWLQKJNTI-UHFFFAOYSA-N -1 1 365.798 3.270 20 10 FGCDMM COc1cc(C)sc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765732047 723536020 /nfs/dbraw/zinc/53/60/20/723536020.db2.gz OTQJYTALJNWUDC-UHFFFAOYSA-N -1 1 356.241 3.463 20 10 FGCDMM C[C@@H]1CCCC[C@@H]1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765747975 723537634 /nfs/dbraw/zinc/53/76/34/723537634.db2.gz SDHGXVZSJOGIIX-RISCZKNCSA-N -1 1 356.260 3.366 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(n1)CCCC2 ZINC000765750412 723537944 /nfs/dbraw/zinc/53/79/44/723537944.db2.gz GAYUPRIEHXFKHQ-UHFFFAOYSA-N -1 1 361.239 3.359 20 10 FGCDMM Cc1ccc(F)cc1C(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765750873 723537988 /nfs/dbraw/zinc/53/79/88/723537988.db2.gz MYHMYILPWFHBSC-UHFFFAOYSA-N -1 1 366.186 3.101 20 10 FGCDMM C[C@@H]1CCC[C@@H](OCC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765752883 723538129 /nfs/dbraw/zinc/53/81/29/723538129.db2.gz ZYSXRGCQOGZRJW-DGCLKSJQSA-N -1 1 356.260 3.366 20 10 FGCDMM Cc1cccc(C)c1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765755107 723538433 /nfs/dbraw/zinc/53/84/33/723538433.db2.gz ZUKVOYKCGYJLTI-UHFFFAOYSA-N -1 1 364.239 3.467 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)c1ccc(Cl)cc1 ZINC000765770349 723539590 /nfs/dbraw/zinc/53/95/90/723539590.db2.gz ONTPVFUINZCHIG-UHFFFAOYSA-N -1 1 368.614 3.307 20 10 FGCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@]2(CCOC2)O1 ZINC000796550005 723643249 /nfs/dbraw/zinc/64/32/49/723643249.db2.gz ALWJLMSPSUUCNZ-CRAIPNDOSA-N -1 1 353.846 3.018 20 10 FGCDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000769866701 723698328 /nfs/dbraw/zinc/69/83/28/723698328.db2.gz ZTTDSBLMZHKVBH-UHFFFAOYSA-N -1 1 373.789 3.081 20 10 FGCDMM CC[C@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000798085355 723903140 /nfs/dbraw/zinc/90/31/40/723903140.db2.gz PKVXSSANNZIQET-CQSZACIVSA-N -1 1 366.820 3.298 20 10 FGCDMM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000775291162 723976810 /nfs/dbraw/zinc/97/68/10/723976810.db2.gz CAJLGUGABWHCTK-UHFFFAOYSA-N -1 1 367.398 3.264 20 10 FGCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cccc(Br)c1F ZINC000799124428 723989528 /nfs/dbraw/zinc/98/95/28/723989528.db2.gz QWXAMISGHJVTAX-UHFFFAOYSA-N -1 1 364.167 3.234 20 10 FGCDMM CCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1S(N)(=O)=O ZINC000808442167 725201451 /nfs/dbraw/zinc/20/14/51/725201451.db2.gz VHZHQTUNCIYONY-UHFFFAOYSA-N -1 1 358.822 3.007 20 10 FGCDMM CC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])C[C@@H](C)[S@]1=O ZINC000809700470 725260523 /nfs/dbraw/zinc/26/05/23/725260523.db2.gz HDVLFAUQPCEDRB-JNHSQIPHSA-N -1 1 360.317 3.195 20 10 FGCDMM CN(C)C(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809709252 725261160 /nfs/dbraw/zinc/26/11/60/725261160.db2.gz OHVFYBKLWMJRHF-ZDUSSCGKSA-N -1 1 371.821 3.007 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000813539054 726891876 /nfs/dbraw/zinc/89/18/76/726891876.db2.gz DVWMKNMZVBGVIQ-AWEZNQCLSA-N -1 1 370.630 3.158 20 10 FGCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])CC(F)F ZINC000827166925 729426302 /nfs/dbraw/zinc/42/63/02/729426302.db2.gz SBDCPBXVCCVSPU-MRVPVSSYSA-N -1 1 351.191 3.245 20 10 FGCDMM O=C(NCCC1CC(F)(F)C1)NCc1cccc(Br)c1[O-] ZINC000836675676 729964636 /nfs/dbraw/zinc/96/46/36/729964636.db2.gz GWSXWCKUHSYODX-UHFFFAOYSA-N -1 1 363.202 3.389 20 10 FGCDMM C[C@H]1CCCc2ncc(C(=O)NCc3cccc(Br)c3[O-])n21 ZINC000846016954 730918807 /nfs/dbraw/zinc/91/88/07/730918807.db2.gz ZEZDERCGXITSJN-JTQLQIEISA-N -1 1 364.243 3.179 20 10 FGCDMM CC(C)(C)OC(=O)NCc1cccc(C=C2SC(=S)[N-]C2=O)c1 ZINC000864362728 733049508 /nfs/dbraw/zinc/04/95/08/733049508.db2.gz JQVLJLJSGUSCQN-WQLSENKSSA-N -1 1 350.465 3.200 20 10 FGCDMM [O-]c1c(CN[C@@H](CO)c2ccccc2OC(F)(F)F)ccc(F)c1F ZINC000877491888 736671393 /nfs/dbraw/zinc/67/13/93/736671393.db2.gz QJCSUQHXXARLMY-LBPRGKRZSA-N -1 1 363.282 3.392 20 10 FGCDMM O=C1N(c2ccccc2)[C@H](c2ccc(Br)cc2[O-])NC12CC2 ZINC000877860087 736736906 /nfs/dbraw/zinc/73/69/06/736736906.db2.gz UVPQLWMWUUQECT-OAHLLOKOSA-N -1 1 359.223 3.322 20 10 FGCDMM COCC[C@H](Cc1ccco1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894135447 742243852 /nfs/dbraw/zinc/24/38/52/742243852.db2.gz ZLTNXTPFWDLZTD-CYBMUJFWSA-N -1 1 352.818 3.086 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000890758002 739827414 /nfs/dbraw/zinc/82/74/14/739827414.db2.gz PNBFBVLQRTYZIZ-GJZGRUSLSA-N -1 1 364.873 3.091 20 10 FGCDMM C[C@@H](O)C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000893651334 742181392 /nfs/dbraw/zinc/18/13/92/742181392.db2.gz OMAXOEOGUQDMQS-CZUORRHYSA-N -1 1 362.857 3.400 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN1CCS[C@@H]2COCC[C@H]21 ZINC000894083488 742236459 /nfs/dbraw/zinc/23/64/59/742236459.db2.gz DZDDWDCQGAJJCW-CHWSQXEVSA-N -1 1 362.264 3.000 20 10 FGCDMM CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl ZINC000901963638 743687777 /nfs/dbraw/zinc/68/77/77/743687777.db2.gz XJOMLLYCMRJZQY-LBPRGKRZSA-N -1 1 373.833 3.184 20 10 FGCDMM O=C(CSCc1cccc(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916616772 758108874 /nfs/dbraw/zinc/10/88/74/758108874.db2.gz OYXGOQMZDWVRPB-UHFFFAOYSA-N -1 1 366.822 3.411 20 10 FGCDMM CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000277495142 496792375 /nfs/dbraw/zinc/79/23/75/496792375.db2.gz JUGKOYAKBFABRB-UHFFFAOYSA-N -1 1 365.227 3.232 20 10 FGCDMM C[C@H](c1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCS(=O)(=O)C1 ZINC000279771314 497536704 /nfs/dbraw/zinc/53/67/04/497536704.db2.gz STWYPQQKIFIMCW-SJORKVTESA-N -1 1 359.491 3.390 20 10 FGCDMM CC1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000293682173 498451586 /nfs/dbraw/zinc/45/15/86/498451586.db2.gz NGDHQRUSFDYOQY-UHFFFAOYSA-N -1 1 374.462 3.092 20 10 FGCDMM C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H]1CCCN(C(=O)[O-])C1 ZINC000739030918 602002309 /nfs/dbraw/zinc/00/23/09/602002309.db2.gz HGQNUNBYCNSILE-MNOVXSKESA-N -1 1 357.248 3.023 20 10 FGCDMM COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000152375673 704960928 /nfs/dbraw/zinc/96/09/28/704960928.db2.gz AGWKEZZCHPJUQX-VIFPVBQESA-N -1 1 366.211 3.360 20 10 FGCDMM O=C(COC(=O)c1cc2ccccc2c(Cl)n1)c1ccc([O-])c(O)c1 ZINC000782807503 724701087 /nfs/dbraw/zinc/70/10/87/724701087.db2.gz XUZRPEYDUBEAQT-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM O=C(COC(=O)C(F)(F)c1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC000783216123 724737238 /nfs/dbraw/zinc/73/72/38/724737238.db2.gz KGQQYEOTEQDWHA-UHFFFAOYSA-N -1 1 356.708 3.269 20 10 FGCDMM COc1ccc(N2CCC(NC(=O)c3ccc(Cl)cc3[O-])CC2)cc1 ZINC000726627050 722436625 /nfs/dbraw/zinc/43/66/25/722436625.db2.gz CSINBOYBAQFCMV-UHFFFAOYSA-N -1 1 360.841 3.453 20 10 FGCDMM CCO[C@@H](C)c1noc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])n1 ZINC000750053677 722753100 /nfs/dbraw/zinc/75/31/00/722753100.db2.gz JENRIXURPPECLF-NSHDSACASA-N -1 1 367.833 3.361 20 10 FGCDMM C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000756379767 722963638 /nfs/dbraw/zinc/96/36/38/722963638.db2.gz BMRJFMFNVASODH-YMTOWFKASA-N -1 1 367.218 3.171 20 10 FGCDMM O=C(N[C@H]1CCc2c1cccc2Br)c1c(F)ccc(O)c1[O-] ZINC000789971108 723089694 /nfs/dbraw/zinc/08/96/94/723089694.db2.gz NQYRQNXQWZFTGE-LBPRGKRZSA-N -1 1 366.186 3.417 20 10 FGCDMM O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1c([O-])c(O)ccc1F ZINC000789995141 723092223 /nfs/dbraw/zinc/09/22/23/723092223.db2.gz DRSCSXSONSQQFW-LLVKDONJSA-N -1 1 360.168 3.007 20 10 FGCDMM O=C(NCCOc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000764758822 723443066 /nfs/dbraw/zinc/44/30/66/723443066.db2.gz VKQLTSJUEXQBAY-UHFFFAOYSA-N -1 1 365.227 3.033 20 10 FGCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1cccc(O)c1 ZINC000765496866 723517710 /nfs/dbraw/zinc/51/77/10/723517710.db2.gz FXCZFSZSSRKIHL-JTQLQIEISA-N -1 1 365.227 3.421 20 10 FGCDMM Cc1ccncc1[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000765537207 723521697 /nfs/dbraw/zinc/52/16/97/723521697.db2.gz PQYRUMLXZDCWRT-LLVKDONJSA-N -1 1 364.243 3.419 20 10 FGCDMM O=C(CSCc1ccncc1)NCc1cccc(Br)c1[O-] ZINC000765726626 723535440 /nfs/dbraw/zinc/53/54/40/723535440.db2.gz IBAZRRGERWXUSD-UHFFFAOYSA-N -1 1 367.268 3.099 20 10 FGCDMM O=C(CCSc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000765735504 723536617 /nfs/dbraw/zinc/53/66/17/723536617.db2.gz HGXSGLMIFLTOIR-UHFFFAOYSA-N -1 1 367.268 3.348 20 10 FGCDMM CNC(=O)COc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])c(C)c1 ZINC000794838277 723548663 /nfs/dbraw/zinc/54/86/63/723548663.db2.gz AQGYNXSFUARJHT-LLVKDONJSA-N -1 1 350.365 3.277 20 10 FGCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000766048762 723552866 /nfs/dbraw/zinc/55/28/66/723552866.db2.gz VABDOBDDDLPSIR-UHFFFAOYSA-N -1 1 371.361 3.040 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc3nc(Cl)sc3c2)ccc1O ZINC000797819234 723866358 /nfs/dbraw/zinc/86/63/58/723866358.db2.gz AWYYKCSJBRIDLG-UHFFFAOYSA-N -1 1 370.839 3.465 20 10 FGCDMM CO[C@@H]1CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000775701013 724027643 /nfs/dbraw/zinc/02/76/43/724027643.db2.gz AKIDCPJAXQGFCU-SNVBAGLBSA-N -1 1 365.065 3.138 20 10 FGCDMM CC[C@H](NCc1nnnn1CC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806158051 725118608 /nfs/dbraw/zinc/11/86/08/725118608.db2.gz DFOWFHMTZFRETO-ZDUSSCGKSA-N -1 1 356.257 3.336 20 10 FGCDMM C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000825754082 729394031 /nfs/dbraw/zinc/39/40/31/729394031.db2.gz ZJWAQNJHHMZRMS-XNJGSVPQSA-N -1 1 370.287 3.313 20 10 FGCDMM CCOC(=O)Cc1cnc(NCc2cccc(Br)c2[O-])s1 ZINC000834482649 729807243 /nfs/dbraw/zinc/80/72/43/729807243.db2.gz NHQXRZRYSWQOBN-UHFFFAOYSA-N -1 1 371.256 3.329 20 10 FGCDMM CCC(C)(C)OCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000836689049 729965645 /nfs/dbraw/zinc/96/56/45/729965645.db2.gz DXXQOMAKXUKMDQ-UHFFFAOYSA-N -1 1 359.264 3.159 20 10 FGCDMM CO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])CC(C)C ZINC000841593199 730258975 /nfs/dbraw/zinc/25/89/75/730258975.db2.gz ZFNRQJAVDMUQFY-GFCCVEGCSA-N -1 1 359.264 3.015 20 10 FGCDMM Cc1ccc(O[C@H]2CCN(Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)nc1 ZINC000858011845 732176093 /nfs/dbraw/zinc/17/60/93/732176093.db2.gz RZZOFOXOJNXPNY-AWEZNQCLSA-N -1 1 363.801 3.311 20 10 FGCDMM Cc1cc(Br)c([O-])c([C@@H]2NC(=O)[C@@H]3Cc4ccccc4CN23)c1 ZINC000877865502 736738068 /nfs/dbraw/zinc/73/80/68/736738068.db2.gz CDTMKNKDKVMLRM-DOTOQJQBSA-N -1 1 373.250 3.018 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNCc1noc2c1CCCC2 ZINC000883121161 737526315 /nfs/dbraw/zinc/52/63/15/737526315.db2.gz ZHWZTHQOUQKUGK-UHFFFAOYSA-N -1 1 355.207 3.450 20 10 FGCDMM COCCN(Cc1cccnc1)Cc1cc(Br)cc(F)c1[O-] ZINC000894766864 742330854 /nfs/dbraw/zinc/33/08/54/742330854.db2.gz WAYQCBAVNHFASO-UHFFFAOYSA-N -1 1 369.234 3.337 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@](CO)(C(F)(F)F)C1 ZINC000895836686 742459672 /nfs/dbraw/zinc/45/96/72/742459672.db2.gz DUDGKZQEIKTMFU-LBPRGKRZSA-N -1 1 372.156 3.041 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1ccnn1[C@H]1CCCOC1 ZINC000898089385 742744055 /nfs/dbraw/zinc/74/40/55/742744055.db2.gz PYXGTKXQTABBDH-LBPRGKRZSA-N -1 1 370.222 3.454 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnn(C2CCC2)c1 ZINC000934312968 761592482 /nfs/dbraw/zinc/59/24/82/761592482.db2.gz RNQAWSYSFKMAQL-UHFFFAOYSA-N -1 1 365.231 3.398 20 10 FGCDMM COc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3O)n2)c(OC)c1 ZINC000121148880 494616733 /nfs/dbraw/zinc/61/67/33/494616733.db2.gz ZWRUXQJRAIHBPF-UHFFFAOYSA-N -1 1 355.394 3.091 20 10 FGCDMM COc1c([O-])c(CN2CCO[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000278166145 497025883 /nfs/dbraw/zinc/02/58/83/497025883.db2.gz FGNUTHXILIFFNC-INIZCTEOSA-N -1 1 362.357 3.022 20 10 FGCDMM CCN(CC)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000736531806 598575822 /nfs/dbraw/zinc/57/58/22/598575822.db2.gz LPAHGISNOWHBSO-UHFFFAOYSA-N -1 1 357.849 3.373 20 10 FGCDMM CCN(CC)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)n2)cc1 ZINC000736531806 598575824 /nfs/dbraw/zinc/57/58/24/598575824.db2.gz LPAHGISNOWHBSO-UHFFFAOYSA-N -1 1 357.849 3.373 20 10 FGCDMM COC(=O)c1cc2ccccc2c(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000737676260 599935957 /nfs/dbraw/zinc/93/59/57/599935957.db2.gz DJZKREJVGJRDBO-GFCCVEGCSA-N -1 1 357.406 3.017 20 10 FGCDMM COC(=O)c1cc2ccccc2c(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1[O-] ZINC000737676260 599935959 /nfs/dbraw/zinc/93/59/59/599935959.db2.gz DJZKREJVGJRDBO-GFCCVEGCSA-N -1 1 357.406 3.017 20 10 FGCDMM O=C([O-])C[N@H+](CCc1ccc2c(c1)CCO2)Cc1cc(Cl)ccc1[O-] ZINC000833248715 601006692 /nfs/dbraw/zinc/00/66/92/601006692.db2.gz YJQMTKCOZLQDHR-UHFFFAOYSA-N -1 1 361.825 3.110 20 10 FGCDMM O=C([O-])C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1cc(Cl)ccc1[O-] ZINC000833248715 601006695 /nfs/dbraw/zinc/00/66/95/601006695.db2.gz YJQMTKCOZLQDHR-UHFFFAOYSA-N -1 1 361.825 3.110 20 10 FGCDMM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821196611 606496695 /nfs/dbraw/zinc/49/66/95/606496695.db2.gz BZMXGASTBNDCGR-UHFFFAOYSA-N -1 1 370.482 3.047 20 10 FGCDMM CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821196611 606496698 /nfs/dbraw/zinc/49/66/98/606496698.db2.gz BZMXGASTBNDCGR-UHFFFAOYSA-N -1 1 370.482 3.047 20 10 FGCDMM COCCn1c2ccccc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000779196827 724399315 /nfs/dbraw/zinc/39/93/15/724399315.db2.gz XNRJOYLBRKQVSH-UHFFFAOYSA-N -1 1 358.419 3.069 20 10 FGCDMM COc1ccc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000782267060 724645987 /nfs/dbraw/zinc/64/59/87/724645987.db2.gz NVTWEMNQINJEPC-UHFFFAOYSA-N -1 1 364.781 3.119 20 10 FGCDMM O=C(COC(=O)c1cc(F)ccc1Br)c1ccc([O-])c(O)c1 ZINC000782564551 724682837 /nfs/dbraw/zinc/68/28/37/724682837.db2.gz GAVIIDRXCOAOCH-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM Cc1cc(Br)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783059627 724719353 /nfs/dbraw/zinc/71/93/53/724719353.db2.gz FKMHFFMTESURAJ-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM O=C(COC(=O)c1cc(Cl)cc2cccnc21)c1ccc([O-])c(O)c1 ZINC000783653634 724774890 /nfs/dbraw/zinc/77/48/90/724774890.db2.gz DAEDHZJGOMIZOK-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM C[C@@H](CSc1ccc(F)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784106974 724822218 /nfs/dbraw/zinc/82/22/18/724822218.db2.gz ZNVYOISBBJYXPH-NSHDSACASA-N -1 1 364.394 3.391 20 10 FGCDMM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc(Cl)c2O1 ZINC000736062511 722521776 /nfs/dbraw/zinc/52/17/76/722521776.db2.gz VDGAZVRWAQXCHS-SECBINFHSA-N -1 1 367.810 3.193 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@H](C(F)(F)F)C2)c1[O-] ZINC000750056429 722753436 /nfs/dbraw/zinc/75/34/36/722753436.db2.gz HSCLXYNXHVFHMH-SDBXPKJASA-N -1 1 351.752 3.400 20 10 FGCDMM CCn1cnnc1CN[C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756420088 722964252 /nfs/dbraw/zinc/96/42/52/722964252.db2.gz HBOGPTQHQYYJHY-MRVPVSSYSA-N -1 1 359.655 3.270 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1-c1ccoc1 ZINC000790064948 723101331 /nfs/dbraw/zinc/10/13/31/723101331.db2.gz ATJJYWLVZHFWGJ-UHFFFAOYSA-N -1 1 362.183 3.068 20 10 FGCDMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1OC ZINC000790336025 723128343 /nfs/dbraw/zinc/12/83/43/723128343.db2.gz MSSLXMZEMRKING-UHFFFAOYSA-N -1 1 357.815 3.172 20 10 FGCDMM C[C@@H](N[C@H](C)c1cc(Br)c(F)cc1[O-])c1nnnn1C1CC1 ZINC000790754668 723174292 /nfs/dbraw/zinc/17/42/92/723174292.db2.gz JGCSBHGWZBIMTD-HTQZYQBOSA-N -1 1 370.226 3.027 20 10 FGCDMM O=C(NCCc1ccsc1)NCc1cccc(Br)c1[O-] ZINC000764760494 723443056 /nfs/dbraw/zinc/44/30/56/723443056.db2.gz HGUZXBYXFRRCSS-UHFFFAOYSA-N -1 1 355.257 3.258 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc2c1OCO2 ZINC000765343417 723506889 /nfs/dbraw/zinc/50/68/89/723506889.db2.gz RNPOFSHQKOXWPJ-UHFFFAOYSA-N -1 1 365.183 3.205 20 10 FGCDMM CCCC(O)(CCC)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765727359 723535397 /nfs/dbraw/zinc/53/53/97/723535397.db2.gz MTULWPWNZJJHOC-UHFFFAOYSA-N -1 1 358.276 3.492 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-c2ncon2)cc1 ZINC000765728738 723535588 /nfs/dbraw/zinc/53/55/88/723535588.db2.gz MCCQNEJZXQNEGW-UHFFFAOYSA-N -1 1 374.194 3.135 20 10 FGCDMM C[C@H]1CCC[C@H](OCC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765752881 723538166 /nfs/dbraw/zinc/53/81/66/723538166.db2.gz ZYSXRGCQOGZRJW-AAEUAGOBSA-N -1 1 356.260 3.366 20 10 FGCDMM CCOc1nccc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751670 723538218 /nfs/dbraw/zinc/53/82/18/723538218.db2.gz IZZLQCQKFHOVIN-UHFFFAOYSA-N -1 1 365.227 3.187 20 10 FGCDMM Cc1ccc(-n2[n-]nnc2=NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC000808089311 725183074 /nfs/dbraw/zinc/18/30/74/725183074.db2.gz KJIHDGFIKAGSRQ-UHFFFAOYSA-N -1 1 350.209 3.017 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000811519017 725372387 /nfs/dbraw/zinc/37/23/87/725372387.db2.gz RVRNUUHZSRPVAX-GDBMZVCRSA-N -1 1 352.818 3.487 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCCCC(=O)C1 ZINC000813539555 726891737 /nfs/dbraw/zinc/89/17/37/726891737.db2.gz RFHOZFVSXWYWHO-NSHDSACASA-N -1 1 354.244 3.310 20 10 FGCDMM O=C(Cc1c[nH]c2cccc(Cl)c12)OCC(=O)c1ccc([O-])c(O)c1 ZINC000814527013 726978111 /nfs/dbraw/zinc/97/81/11/726978111.db2.gz VTZVZPUNYMFNJE-UHFFFAOYSA-N -1 1 359.765 3.201 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCc2cccc(O)c21 ZINC000816496098 727168009 /nfs/dbraw/zinc/16/80/09/727168009.db2.gz WGJHYAMPIFOPRY-LBPRGKRZSA-N -1 1 362.223 3.207 20 10 FGCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1NS(C)(=O)=O ZINC000816525167 727171525 /nfs/dbraw/zinc/17/15/25/727171525.db2.gz HZNVJBBYGBQOAO-UHFFFAOYSA-N -1 1 358.822 3.477 20 10 FGCDMM Cn1ccnc1[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])C(C)(C)CO ZINC000824673214 729354497 /nfs/dbraw/zinc/35/44/97/729354497.db2.gz PMEVAVBFWVLXMZ-CQSZACIVSA-N -1 1 358.269 3.282 20 10 FGCDMM CN1CC[C@@H](NC(=O)c2c([O-])c(O)ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000827492109 729430940 /nfs/dbraw/zinc/43/09/40/729430940.db2.gz UWEUTTAUCPYXEX-CZUORRHYSA-N -1 1 364.804 3.066 20 10 FGCDMM O=C(CN1C(=O)SC(=Cc2cccs2)C1=O)c1ccc([O-])c(O)c1 ZINC000841983116 730286353 /nfs/dbraw/zinc/28/63/53/730286353.db2.gz ZVDQXAFUJCUGSH-VGOFMYFVSA-N -1 1 361.400 3.079 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000846659293 730971428 /nfs/dbraw/zinc/97/14/28/730971428.db2.gz LSMBQMJYMKDHJR-GOSISDBHSA-N -1 1 365.788 3.014 20 10 FGCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCCO1 ZINC000847440576 731055798 /nfs/dbraw/zinc/05/57/98/731055798.db2.gz HYMFYEFCAQQCOR-KBPBESRZSA-N -1 1 371.275 3.302 20 10 FGCDMM C[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639290 731190534 /nfs/dbraw/zinc/19/05/34/731190534.db2.gz GOZUHGXAUGAQSG-JIMOISOXSA-N -1 1 356.260 3.380 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](CC(F)(F)F)C2)c1[O-] ZINC000852742950 731629053 /nfs/dbraw/zinc/62/90/53/731629053.db2.gz XLGVWQOAHZJJMA-GFCCVEGCSA-N -1 1 351.752 3.401 20 10 FGCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccccn1 ZINC000854258498 731809963 /nfs/dbraw/zinc/80/99/63/731809963.db2.gz DXKLHDGVGGQWDS-NSHDSACASA-N -1 1 364.243 3.153 20 10 FGCDMM C[C@@H](NCc1ncc(Br)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866620481 733375080 /nfs/dbraw/zinc/37/50/80/733375080.db2.gz OGFRKSDMGUYBQV-SSDOTTSWSA-N -1 1 358.217 3.370 20 10 FGCDMM C[C@H](NCc1nc2c(c(=O)[nH]1)COCC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866628670 733376238 /nfs/dbraw/zinc/37/62/38/733376238.db2.gz LVCSXJDHLBRKHM-QMMMGPOBSA-N -1 1 370.236 3.118 20 10 FGCDMM O=C1N[C@@H](c2cccc(Br)c2[O-])Nc2cc(F)c(F)cc21 ZINC000877859397 736736876 /nfs/dbraw/zinc/73/68/76/736736876.db2.gz ROEVDCPGZHLJDM-ZDUSSCGKSA-N -1 1 355.138 3.287 20 10 FGCDMM O=C(C[C@H]1CCC2(CCOCC2)CO1)NCc1cccc(Cl)c1[O-] ZINC000890762595 739828667 /nfs/dbraw/zinc/82/86/67/739828667.db2.gz GUCNJQPPBQCYHP-CQSZACIVSA-N -1 1 353.846 3.028 20 10 FGCDMM COc1cc(CCC(=O)NCc2cccc(Cl)c2[O-])cc(OC)c1O ZINC000890761415 739828692 /nfs/dbraw/zinc/82/86/92/739828692.db2.gz RBNLRXASXOFRSK-UHFFFAOYSA-N -1 1 365.813 3.017 20 10 FGCDMM COCCOc1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000891920757 739951389 /nfs/dbraw/zinc/95/13/89/739951389.db2.gz IYKHKLBGPTUCKU-UHFFFAOYSA-N -1 1 364.829 3.070 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000893908304 742212470 /nfs/dbraw/zinc/21/24/70/742212470.db2.gz VTBZSBSRJTYHOH-MBNYWOFBSA-N -1 1 358.916 3.224 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000896659843 742578824 /nfs/dbraw/zinc/57/88/24/742578824.db2.gz HRLVMDLADBLEAY-JQWIXIFHSA-N -1 1 366.767 3.345 20 10 FGCDMM CC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCC2(CC1)OCCO2 ZINC000897626383 742697075 /nfs/dbraw/zinc/69/70/75/742697075.db2.gz YOMJSLMYHOETIV-UHFFFAOYSA-N -1 1 368.861 3.168 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2cc(Cl)ccc2Cl)C(=O)[N-]C1=S ZINC000920974772 758627174 /nfs/dbraw/zinc/62/71/74/758627174.db2.gz SMXDNHVDCUHFOA-UXBLZVDNSA-N -1 1 372.277 3.189 20 10 FGCDMM Cc1cc(NC(=O)NCc2cccc(Cl)c2[O-])nn1CC(F)(F)F ZINC000931763125 760957075 /nfs/dbraw/zinc/95/70/75/760957075.db2.gz WTEIWEHGXNEETP-UHFFFAOYSA-N -1 1 362.739 3.435 20 10 FGCDMM CCOC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2O)[nH]c1C ZINC000296714996 498166667 /nfs/dbraw/zinc/16/66/67/498166667.db2.gz IWHFKEHLHRYUIH-UHFFFAOYSA-N -1 1 367.243 3.258 20 10 FGCDMM Cc1nc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c2n1CCCC2 ZINC000378395272 499511790 /nfs/dbraw/zinc/51/17/90/499511790.db2.gz LUDUIURKHLFHDE-UHFFFAOYSA-N -1 1 350.806 3.085 20 10 FGCDMM CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000376212579 499591593 /nfs/dbraw/zinc/59/15/93/499591593.db2.gz UURUKNTWTWDQFT-HOTGVXAUSA-N -1 1 367.287 3.130 20 10 FGCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000738347628 600055964 /nfs/dbraw/zinc/05/59/64/600055964.db2.gz QTUFXLLJFZSYPD-UHFFFAOYSA-N -1 1 364.404 3.211 20 10 FGCDMM Cc1cc(Br)c([O-])c(C[N@H+](C)C2CCN(C(=O)[O-])CC2)c1 ZINC000833897213 605912975 /nfs/dbraw/zinc/91/29/75/605912975.db2.gz GGEDSEBJNJPBDS-UHFFFAOYSA-N -1 1 357.248 3.037 20 10 FGCDMM Cc1cccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)n2C)c1 ZINC000022212355 695651603 /nfs/dbraw/zinc/65/16/03/695651603.db2.gz GVSMJPASGHWIHY-UHFFFAOYSA-N -1 1 355.419 3.177 20 10 FGCDMM CN(C)c1ccc(CN(C)Cn2[n-]c(-c3ccccn3)nc2=S)cc1 ZINC000117318994 700602320 /nfs/dbraw/zinc/60/23/20/700602320.db2.gz OGQKQLPRUCGWQA-UHFFFAOYSA-N -1 1 354.483 3.158 20 10 FGCDMM CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177167832 705609960 /nfs/dbraw/zinc/60/99/60/705609960.db2.gz KHMLFQQOASNMKE-MRXNPFEDSA-N -1 1 352.862 3.081 20 10 FGCDMM CC(=O)NCCN(Cc1ccsc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000802653356 724397886 /nfs/dbraw/zinc/39/78/86/724397886.db2.gz SFBCQYRUIDKFCI-UHFFFAOYSA-N -1 1 356.850 3.385 20 10 FGCDMM Cn1c2ccccc2c(Cl)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782819771 724701871 /nfs/dbraw/zinc/70/18/71/724701871.db2.gz AJZIVXYQQIAXOY-UHFFFAOYSA-N -1 1 359.765 3.283 20 10 FGCDMM O=C(COC(=O)c1cnc(-c2ccccc2)s1)c1ccc([O-])c(O)c1 ZINC000782913235 724708364 /nfs/dbraw/zinc/70/83/64/724708364.db2.gz JYLCCJRYHAGBJG-UHFFFAOYSA-N -1 1 355.371 3.261 20 10 FGCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Br ZINC000783964825 724808373 /nfs/dbraw/zinc/80/83/73/724808373.db2.gz NKAUTRONIVNELG-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM C[C@H](N[C@@H](C)c1cc(Br)cc(Cl)c1[O-])c1nncn1C ZINC000756533649 722966340 /nfs/dbraw/zinc/96/63/40/722966340.db2.gz JVPQVGKVOKVFJV-YUMQZZPRSA-N -1 1 359.655 3.348 20 10 FGCDMM O=C(NCCCOC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000764767395 723443872 /nfs/dbraw/zinc/44/38/72/723443872.db2.gz BDWDVJZYXJPGBZ-UHFFFAOYSA-N -1 1 371.275 3.303 20 10 FGCDMM CO[C@@]1(C)C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764791085 723446303 /nfs/dbraw/zinc/44/63/03/723446303.db2.gz MKTBODZSWCFXCD-LRDDRELGSA-N -1 1 371.275 3.158 20 10 FGCDMM O=C(NCc1ccc(Cl)cn1)NCc1cccc(Br)c1[O-] ZINC000764806899 723448721 /nfs/dbraw/zinc/44/87/21/723448721.db2.gz TWHDPJGSLRYQPT-UHFFFAOYSA-N -1 1 370.634 3.203 20 10 FGCDMM O=[N+]([O-])c1ccc(NCc2cccc(Br)c2[O-])c2nonc21 ZINC000764933031 723460900 /nfs/dbraw/zinc/46/09/00/723460900.db2.gz BNQMHSRXPXTCFK-UHFFFAOYSA-N -1 1 365.143 3.211 20 10 FGCDMM CC1CCC(OCC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000793968002 723479424 /nfs/dbraw/zinc/47/94/24/723479424.db2.gz HESWWWXAZYZFME-UHFFFAOYSA-N -1 1 356.260 3.366 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(Br)c1 ZINC000794589948 723533654 /nfs/dbraw/zinc/53/36/54/723533654.db2.gz KVEQXNHOVKEFJS-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM O=C(CSCc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000765732101 723536075 /nfs/dbraw/zinc/53/60/75/723536075.db2.gz PJVVBSATYHMRNL-UHFFFAOYSA-N -1 1 367.268 3.099 20 10 FGCDMM COc1ccccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765758219 723538663 /nfs/dbraw/zinc/53/86/63/723538663.db2.gz UGROXEFDLHMUDK-UHFFFAOYSA-N -1 1 350.212 3.022 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000795348563 723584141 /nfs/dbraw/zinc/58/41/41/723584141.db2.gz OSQRBQKODGFMKL-UHFFFAOYSA-N -1 1 364.713 3.033 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2C)ccc1O ZINC000797820016 723866388 /nfs/dbraw/zinc/86/63/88/723866388.db2.gz BRPVFGXFLFGBPT-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM Cn1cc(NCc2cc(Br)cc(Br)c2[O-])cn1 ZINC000776172189 724115833 /nfs/dbraw/zinc/11/58/33/724115833.db2.gz XRWOAXYMLOOJKN-UHFFFAOYSA-N -1 1 361.037 3.263 20 10 FGCDMM O=C(CCCc1cc(F)ccc1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784430543 724852631 /nfs/dbraw/zinc/85/26/31/724852631.db2.gz YAUFPUHYXJNONX-UHFFFAOYSA-N -1 1 350.317 3.125 20 10 FGCDMM O=C(COC(=O)c1ccc(OC(F)(F)Cl)cc1)c1ccc([O-])c(O)c1 ZINC000787090288 725016041 /nfs/dbraw/zinc/01/60/41/725016041.db2.gz CEPYJZXQZJFIBG-UHFFFAOYSA-N -1 1 372.707 3.305 20 10 FGCDMM Cc1ccc(NCc2cccc(Cl)c2[O-])cc1C(=O)N1CCOCC1 ZINC000787305041 725024402 /nfs/dbraw/zinc/02/44/02/725024402.db2.gz NJRANKVWAXRJBS-UHFFFAOYSA-N -1 1 360.841 3.439 20 10 FGCDMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1C ZINC000808115430 725184694 /nfs/dbraw/zinc/18/46/94/725184694.db2.gz CQOOWZFKJHKVGE-UHFFFAOYSA-N -1 1 373.789 3.301 20 10 FGCDMM CNS(=O)(=O)c1ccc(C)c(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816607448 727179669 /nfs/dbraw/zinc/17/96/69/727179669.db2.gz SPJWGKWZCRDZKU-UHFFFAOYSA-N -1 1 358.822 3.013 20 10 FGCDMM CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000821190827 729067380 /nfs/dbraw/zinc/06/73/80/729067380.db2.gz FYUTZQZCUNNRFU-NSHDSACASA-N -1 1 370.254 3.173 20 10 FGCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cccc1S(=O)(=O)N(C)C ZINC000825290454 729377231 /nfs/dbraw/zinc/37/72/31/729377231.db2.gz ZBVUIRCGLDCKNJ-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM C[C@@H]1C[N@H+](Cc2ccc(Br)cc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000825754081 729394076 /nfs/dbraw/zinc/39/40/76/729394076.db2.gz ZJWAQNJHHMZRMS-PBFPGSCMSA-N -1 1 370.287 3.313 20 10 FGCDMM Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000848918629 731220555 /nfs/dbraw/zinc/22/05/55/731220555.db2.gz GLIHZFBBWYVQJQ-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM CC(C)(C)OC(=O)Cn1ccc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000853091148 731663818 /nfs/dbraw/zinc/66/38/18/731663818.db2.gz MYDFQXNLJBSHNG-UHFFFAOYSA-N -1 1 355.797 3.335 20 10 FGCDMM CCC[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])OCC ZINC000858682781 732238129 /nfs/dbraw/zinc/23/81/29/732238129.db2.gz OYNBQTXBUFINRN-LBPRGKRZSA-N -1 1 359.264 3.159 20 10 FGCDMM CC(C)(C)CN1C(=O)C(C)(C)N[C@H]1c1ccc(Br)cc1[O-] ZINC000877857056 736736367 /nfs/dbraw/zinc/73/63/67/736736367.db2.gz KVHCYDYGLVXUQS-CYBMUJFWSA-N -1 1 355.276 3.410 20 10 FGCDMM COCC[S@@](=O)Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883065677 737517472 /nfs/dbraw/zinc/51/74/72/737517472.db2.gz RYKJNDUUJUMCMB-XMMPIXPASA-N -1 1 355.406 3.178 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000890758000 739827313 /nfs/dbraw/zinc/82/73/13/739827313.db2.gz PNBFBVLQRTYZIZ-CABCVRRESA-N -1 1 364.873 3.091 20 10 FGCDMM Cn1ccnc1[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000890759696 739827746 /nfs/dbraw/zinc/82/77/46/739827746.db2.gz OXRIXPNBTOCWBC-SNVBAGLBSA-N -1 1 361.751 3.132 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000893908305 742212304 /nfs/dbraw/zinc/21/23/04/742212304.db2.gz VTBZSBSRJTYHOH-YRGRVCCFSA-N -1 1 358.916 3.224 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(C2CCC2)c1 ZINC000935662510 761916628 /nfs/dbraw/zinc/91/66/28/761916628.db2.gz HMFRFOIFILYHLN-UHFFFAOYSA-N -1 1 350.216 3.006 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@]12CCO[C@@H]1CCCC2 ZINC000935663515 761917511 /nfs/dbraw/zinc/91/75/11/761917511.db2.gz UZJJBHPJZVHBMX-CJNGLKHVSA-N -1 1 354.244 3.120 20 10 FGCDMM Cc1cc(C(=O)CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)s1 ZINC000916608700 758106632 /nfs/dbraw/zinc/10/66/32/758106632.db2.gz FBPCASPAVWKLFY-UHFFFAOYSA-N -1 1 362.403 3.165 20 10 FGCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c([O-])cccc1Cl ZINC000920432274 758553463 /nfs/dbraw/zinc/55/34/63/758553463.db2.gz HBLOIEFQJAGZCS-UHFFFAOYSA-N -1 1 360.841 3.154 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Br)c2c(c1)OCCCO2 ZINC000921261896 758677049 /nfs/dbraw/zinc/67/70/49/758677049.db2.gz LJXRKXJJUXZUCR-UXBLZVDNSA-N -1 1 372.265 3.099 20 10 FGCDMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)cc21 ZINC000187062074 496275525 /nfs/dbraw/zinc/27/55/25/496275525.db2.gz QLFZJOJAEFVZSE-UHFFFAOYSA-N -1 1 374.462 3.027 20 10 FGCDMM COCC(=O)N1CCc2c1cccc2NCc1c([O-])ccc(Cl)c1F ZINC000191591654 496824404 /nfs/dbraw/zinc/82/44/04/496824404.db2.gz OPVKKEXQBRLSSE-UHFFFAOYSA-N -1 1 364.804 3.332 20 10 FGCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000278253188 497052448 /nfs/dbraw/zinc/05/24/48/497052448.db2.gz PIXRQUCZZYDPSH-MRXNPFEDSA-N -1 1 362.357 3.022 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCC(F)(F)C1 ZINC000280743227 497880794 /nfs/dbraw/zinc/88/07/94/497880794.db2.gz PGQIWXBPWROAOM-SECBINFHSA-N -1 1 363.202 3.389 20 10 FGCDMM Cc1ncc(C(=O)NCc2cccc(Br)c2[O-])c(C2CC2)n1 ZINC000282259414 498442178 /nfs/dbraw/zinc/44/21/78/498442178.db2.gz IZSRTKPSEBWMAC-UHFFFAOYSA-N -1 1 362.227 3.061 20 10 FGCDMM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000366791794 499075993 /nfs/dbraw/zinc/07/59/93/499075993.db2.gz DETNBWWOZVWHHM-PSTGCABASA-N -1 1 370.833 3.112 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1O ZINC000528639971 504305973 /nfs/dbraw/zinc/30/59/73/504305973.db2.gz MSQJXULLECJLKM-INIZCTEOSA-N -1 1 367.873 3.002 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@@H](C)NC(=O)[O-])CC2)c1[O-] ZINC000823628220 603963019 /nfs/dbraw/zinc/96/30/19/603963019.db2.gz NIDKFSDLTYNBAZ-SNVBAGLBSA-N -1 1 354.834 3.116 20 10 FGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](NC(=O)[O-])C[C@@H]2C)c1 ZINC000833897400 605912651 /nfs/dbraw/zinc/91/26/51/605912651.db2.gz JYPCNBXGONBEOZ-CMPLNLGQSA-N -1 1 357.248 3.084 20 10 FGCDMM CS(=O)(=O)Nc1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048795413 695889557 /nfs/dbraw/zinc/88/95/57/695889557.db2.gz PGIXCPSFGNZYIS-UHFFFAOYSA-N -1 1 371.256 3.138 20 10 FGCDMM COCCOc1ccc(NCc2cccc(Br)c2[O-])cn1 ZINC000048796047 695889580 /nfs/dbraw/zinc/88/95/80/695889580.db2.gz BFJQAOXOCWAOLP-UHFFFAOYSA-N -1 1 353.216 3.187 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ccc(Cn2cncn2)cc1 ZINC000098039182 700464532 /nfs/dbraw/zinc/46/45/32/700464532.db2.gz PTAKAFHMOZPAGW-UHFFFAOYSA-N -1 1 359.227 3.407 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ccc(-n2cncn2)c(F)c1 ZINC000098039228 700464949 /nfs/dbraw/zinc/46/49/49/700464949.db2.gz VBWBRBRMURJZOL-UHFFFAOYSA-N -1 1 363.190 3.487 20 10 FGCDMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000106692771 700509868 /nfs/dbraw/zinc/50/98/68/700509868.db2.gz OQCWKAFDEFFAGO-PXNMLYILSA-N -1 1 356.403 3.189 20 10 FGCDMM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000317991461 713808452 /nfs/dbraw/zinc/80/84/52/713808452.db2.gz SFHSMFHHMPIHSO-UHFFFAOYSA-N -1 1 362.190 3.198 20 10 FGCDMM CCOC(=O)[C@H](CC1CC1)NCc1cc(C)cc(Br)c1[O-] ZINC000753567370 722904715 /nfs/dbraw/zinc/90/47/15/722904715.db2.gz DZASTNHFXWZNJR-AWEZNQCLSA-N -1 1 356.260 3.285 20 10 FGCDMM CC(C)(C)OC(=O)N1CCc2cccc(C=C3SC(=S)[N-]C3=O)c21 ZINC000757525974 722976742 /nfs/dbraw/zinc/97/67/42/722976742.db2.gz JPRQOHDJPBKTKQ-FMIVXFBMSA-N -1 1 362.476 3.473 20 10 FGCDMM C[C@@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000757695948 722978491 /nfs/dbraw/zinc/97/84/91/722978491.db2.gz KSQFMPLLHYWPNB-SNVBAGLBSA-N -1 1 368.405 3.166 20 10 FGCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OCC)cc1C ZINC000790411287 723136608 /nfs/dbraw/zinc/13/66/08/723136608.db2.gz JGKQLFKPWWZIPG-UHFFFAOYSA-N -1 1 351.424 3.299 20 10 FGCDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000792702085 723358372 /nfs/dbraw/zinc/35/83/72/723358372.db2.gz LDFAOZQJTXPIBZ-UHFFFAOYSA-N -1 1 367.448 3.092 20 10 FGCDMM Cc1ccc(CCNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000764759920 723443010 /nfs/dbraw/zinc/44/30/10/723443010.db2.gz FCJBEDKZCLLRSH-UHFFFAOYSA-N -1 1 353.216 3.098 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NOCc1ccccc1 ZINC000764759352 723443075 /nfs/dbraw/zinc/44/30/75/723443075.db2.gz YHUSZCKWRIKALF-UHFFFAOYSA-N -1 1 351.200 3.086 20 10 FGCDMM CCc1nc(CNC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000764778603 723444525 /nfs/dbraw/zinc/44/45/25/723444525.db2.gz FWARMXVQZLLMNO-UHFFFAOYSA-N -1 1 370.272 3.173 20 10 FGCDMM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764804357 723448138 /nfs/dbraw/zinc/44/81/38/723448138.db2.gz FPZMVBGOXFHEFF-CUOATXAZSA-N -1 1 371.275 3.013 20 10 FGCDMM CC[C@@H](C)CC[C@@H](O)CC(=O)NCc1cccc(Br)c1[O-] ZINC000793967919 723479401 /nfs/dbraw/zinc/47/94/01/723479401.db2.gz GVXUWOYPXFJAEI-DGCLKSJQSA-N -1 1 358.276 3.348 20 10 FGCDMM Cc1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765727727 723535656 /nfs/dbraw/zinc/53/56/56/723535656.db2.gz OJTRSAQPJFHEDJ-UHFFFAOYSA-N -1 1 364.239 3.467 20 10 FGCDMM C[C@@H]1CCC[C@H](OCC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765752886 723538176 /nfs/dbraw/zinc/53/81/76/723538176.db2.gz ZYSXRGCQOGZRJW-YPMHNXCESA-N -1 1 356.260 3.366 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1cnc(Br)cn1 ZINC000795793177 723609956 /nfs/dbraw/zinc/60/99/56/723609956.db2.gz RLWDNMRGBMIMGG-UHFFFAOYSA-N -1 1 359.021 3.319 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000796559843 723643788 /nfs/dbraw/zinc/64/37/88/723643788.db2.gz DFDAECZCUDXADD-SFHVURJKSA-N -1 1 353.846 3.018 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000796606037 723646219 /nfs/dbraw/zinc/64/62/19/723646219.db2.gz ATONETWDKREANJ-KZULUSFZSA-N -1 1 353.846 3.018 20 10 FGCDMM COc1c([O-])c(CN2Cc3ccccc3C(F)(F)C2)ccc1[N+](=O)[O-] ZINC000774912985 723941850 /nfs/dbraw/zinc/94/18/50/723941850.db2.gz PJPLOTJMKYTDQD-UHFFFAOYSA-N -1 1 350.321 3.417 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2cnccc2c1 ZINC000799003423 723982096 /nfs/dbraw/zinc/98/20/96/723982096.db2.gz XCQWMKNZEJROQR-UHFFFAOYSA-N -1 1 358.195 3.028 20 10 FGCDMM CSc1ccc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000775970426 724091041 /nfs/dbraw/zinc/09/10/41/724091041.db2.gz BVVJVTFFITWVHN-UHFFFAOYSA-N -1 1 366.464 3.046 20 10 FGCDMM CSC1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000789290088 725119768 /nfs/dbraw/zinc/11/97/68/725119768.db2.gz UAVNEKYTWUJIPV-UHFFFAOYSA-N -1 1 359.289 3.240 20 10 FGCDMM CN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789597363 725138070 /nfs/dbraw/zinc/13/80/70/725138070.db2.gz RPUKUUWXQCYWTR-KRWDZBQOSA-N -1 1 362.832 3.418 20 10 FGCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(C(F)F)cc1 ZINC000808079728 725182599 /nfs/dbraw/zinc/18/25/99/725182599.db2.gz RVDLKTZJDPTBCA-UHFFFAOYSA-N -1 1 368.405 3.262 20 10 FGCDMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c(C)c1C(=O)[O-] ZINC000808114434 725184383 /nfs/dbraw/zinc/18/43/83/725184383.db2.gz XZIRAXBUHUDQKJ-UHFFFAOYSA-N -1 1 373.789 3.301 20 10 FGCDMM O=C(COc1cc(F)cc(F)c1)NCc1cccc(Br)c1[O-] ZINC000811460084 725366732 /nfs/dbraw/zinc/36/67/32/725366732.db2.gz XGQFQELXVXDMLB-UHFFFAOYSA-N -1 1 372.165 3.128 20 10 FGCDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3nsnc32)c1Cl ZINC000811832291 725382184 /nfs/dbraw/zinc/38/21/84/725382184.db2.gz OZBGRPXNQXDRIP-UHFFFAOYSA-N -1 1 370.799 3.054 20 10 FGCDMM CNC(=O)COc1ccc(NCc2cc(Cl)c(F)cc2[O-])c(C)c1 ZINC000816597305 727179019 /nfs/dbraw/zinc/17/90/19/727179019.db2.gz MOWGSERWZUDLNL-UHFFFAOYSA-N -1 1 352.793 3.230 20 10 FGCDMM CN1CC[C@H](NC(=O)c2c([O-])c(O)ccc2F)[C@H]1c1ccc(Cl)cc1 ZINC000827492177 729430948 /nfs/dbraw/zinc/43/09/48/729430948.db2.gz UWEUTTAUCPYXEX-XJKSGUPXSA-N -1 1 364.804 3.066 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCc3cc(Cl)nnc3C2)c1 ZINC000843419231 730618449 /nfs/dbraw/zinc/61/84/49/730618449.db2.gz XKMIJMXAVIJGHU-UHFFFAOYSA-N -1 1 368.662 3.465 20 10 FGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnn(C2CCCC2)c1 ZINC000872370713 735621145 /nfs/dbraw/zinc/62/11/45/735621145.db2.gz FOUQLVSXDYQFAU-UHFFFAOYSA-N -1 1 359.810 3.297 20 10 FGCDMM CSCC[C@H](NCc1ccc(F)c(F)c1[O-])c1nnc2ccccn21 ZINC000876902170 736160622 /nfs/dbraw/zinc/16/06/22/736160622.db2.gz APRCKBFWFUJQQD-ZDUSSCGKSA-N -1 1 364.421 3.297 20 10 FGCDMM COCCN1C(=O)c2ccccc2N[C@@H]1c1cc(Cl)c(F)cc1[O-] ZINC000877846061 736734740 /nfs/dbraw/zinc/73/47/40/736734740.db2.gz PSMFLPBORBODQU-INIZCTEOSA-N -1 1 350.777 3.398 20 10 FGCDMM COc1cc(CCO)ccc1NCc1cc(Br)cc(F)c1[O-] ZINC000883121042 737526346 /nfs/dbraw/zinc/52/63/46/737526346.db2.gz VNWGOYNJPYQTBK-UHFFFAOYSA-N -1 1 370.218 3.449 20 10 FGCDMM C[C@@H]1C[C@@H](NCc2cc(Cl)cc(Br)c2[O-])c2ncnn21 ZINC000883165908 737531474 /nfs/dbraw/zinc/53/14/74/737531474.db2.gz OJIQJBHVUWKRMI-RDDDGLTNSA-N -1 1 357.639 3.195 20 10 FGCDMM O=C(CC1CCN(CC(F)(F)F)CC1)NCc1cccc(Cl)c1[O-] ZINC000890761006 739828353 /nfs/dbraw/zinc/82/83/53/739828353.db2.gz IGDKEFHKRWJJAX-UHFFFAOYSA-N -1 1 364.795 3.326 20 10 FGCDMM Cc1cnc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277411708 496764713 /nfs/dbraw/zinc/76/47/13/496764713.db2.gz KNCYYUFLOUOPFK-VIFPVBQESA-N -1 1 370.272 3.480 20 10 FGCDMM CC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2n1CCCCC2 ZINC000273563006 496841978 /nfs/dbraw/zinc/84/19/78/496841978.db2.gz IRIQJXRBJZKQKP-WFASDCNBSA-N -1 1 359.430 3.420 20 10 FGCDMM Cc1cc(C(=O)CN2CC[C@@](C)(C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263577723 497802446 /nfs/dbraw/zinc/80/24/46/497802446.db2.gz RTUJRXXEXLXEGA-OAQYLSRUSA-N -1 1 354.450 3.382 20 10 FGCDMM Cc1cc(Br)cc(C[NH2+]Cc2nccc(C(F)F)n2)c1O ZINC000290273800 498491543 /nfs/dbraw/zinc/49/15/43/498491543.db2.gz YGOAZLPUKOOOGN-UHFFFAOYSA-N -1 1 358.186 3.481 20 10 FGCDMM O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739658280 600702983 /nfs/dbraw/zinc/70/29/83/600702983.db2.gz OFQJCPCDTPQJJU-LBPRGKRZSA-N -1 1 361.463 3.409 20 10 FGCDMM O=C([O-])C[C@H]1CSCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739658280 600702985 /nfs/dbraw/zinc/70/29/85/600702985.db2.gz OFQJCPCDTPQJJU-LBPRGKRZSA-N -1 1 361.463 3.409 20 10 FGCDMM COc1ccc([C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C(=O)[O-])cc1 ZINC000832252188 601419069 /nfs/dbraw/zinc/41/90/69/601419069.db2.gz HXDOYIXHGOWURA-MRXNPFEDSA-N -1 1 363.797 3.172 20 10 FGCDMM NC(=O)CCOc1ccccc1NCc1cccc(Br)c1[O-] ZINC000098039210 700464741 /nfs/dbraw/zinc/46/47/41/700464741.db2.gz PAJJRDJTWTWIOU-UHFFFAOYSA-N -1 1 365.227 3.021 20 10 FGCDMM COc1ccc2c(c1)C(=O)N(C)[C@H](c1cccc(Br)c1[O-])N2 ZINC000102417639 700475645 /nfs/dbraw/zinc/47/56/45/700475645.db2.gz JLUFSWIEYHECEF-OAHLLOKOSA-N -1 1 363.211 3.360 20 10 FGCDMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000186391354 712717545 /nfs/dbraw/zinc/71/75/45/712717545.db2.gz DOVWTRDQKQRAJS-VIFPVBQESA-N -1 1 355.312 3.183 20 10 FGCDMM O=C(NCc1cc(Br)ccc1O)c1c([O-])cccc1Cl ZINC000804733739 724546128 /nfs/dbraw/zinc/54/61/28/724546128.db2.gz YTDBKMNSPMPRJN-UHFFFAOYSA-N -1 1 356.603 3.444 20 10 FGCDMM O=C(NCc1cc(F)ccc1Br)c1c([O-])c(O)ccc1F ZINC000789958153 723088392 /nfs/dbraw/zinc/08/83/92/723088392.db2.gz REMXFIIKORRZBK-UHFFFAOYSA-N -1 1 358.138 3.069 20 10 FGCDMM O=C(NCCc1ccc(OC(F)(F)F)cc1)c1c(F)ccc(O)c1[O-] ZINC000790069839 723102571 /nfs/dbraw/zinc/10/25/71/723102571.db2.gz XEAPMWSHVMZRNR-UHFFFAOYSA-N -1 1 359.275 3.108 20 10 FGCDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000790416384 723137895 /nfs/dbraw/zinc/13/78/95/723137895.db2.gz VUDGEMDTYWLDCH-UHFFFAOYSA-N -1 1 369.826 3.415 20 10 FGCDMM C[C@@H](N[C@@H](C)c1nnnn1C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000790754717 723174327 /nfs/dbraw/zinc/17/43/27/723174327.db2.gz JGCSBHGWZBIMTD-SFYZADRCSA-N -1 1 370.226 3.027 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c(C)c1F ZINC000792703048 723358659 /nfs/dbraw/zinc/35/86/59/723358659.db2.gz POPBBMYCSCUNTK-UHFFFAOYSA-N -1 1 357.428 3.371 20 10 FGCDMM COc1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765213417 723494847 /nfs/dbraw/zinc/49/48/47/723494847.db2.gz YRZIPHAMMXDMHK-UHFFFAOYSA-N -1 1 351.200 3.485 20 10 FGCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000765528378 723521049 /nfs/dbraw/zinc/52/10/49/723521049.db2.gz NYBINDLKAFWOHM-AWEZNQCLSA-N -1 1 371.275 3.159 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NCC(C1CC1)C1CC1 ZINC000765529698 723521151 /nfs/dbraw/zinc/52/11/51/723521151.db2.gz QTEAITZSCRYIPI-UHFFFAOYSA-N -1 1 353.260 3.390 20 10 FGCDMM O=C(CSCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000765731991 723536071 /nfs/dbraw/zinc/53/60/71/723536071.db2.gz OIESDAPZIZAPMK-UHFFFAOYSA-N -1 1 358.179 3.066 20 10 FGCDMM CC(C)(COCC(F)F)C(=O)NCc1cccc(Br)c1[O-] ZINC000765750843 723537807 /nfs/dbraw/zinc/53/78/07/723537807.db2.gz MEORGXANBGKSCF-UHFFFAOYSA-N -1 1 366.202 3.079 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc(-c2ccccc2)[nH]1 ZINC000765751196 723537824 /nfs/dbraw/zinc/53/78/24/723537824.db2.gz RXBRNHDUROFWIY-UHFFFAOYSA-N -1 1 372.222 3.475 20 10 FGCDMM CC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000765756898 723538453 /nfs/dbraw/zinc/53/84/53/723538453.db2.gz ONDMZHFQHCQHIU-UHFFFAOYSA-N -1 1 366.186 3.426 20 10 FGCDMM CCC[C@@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199787 723560922 /nfs/dbraw/zinc/56/09/22/723560922.db2.gz IIIOQPLDTZFZMM-SNVBAGLBSA-N -1 1 350.278 3.010 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c3ccccc32)ccc1O ZINC000797820382 723866782 /nfs/dbraw/zinc/86/67/82/723866782.db2.gz VDSOTLYAVTXFIB-UHFFFAOYSA-N -1 1 359.403 3.363 20 10 FGCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C ZINC000775291934 723977314 /nfs/dbraw/zinc/97/73/14/723977314.db2.gz RYTLGPMWQASWKU-UHFFFAOYSA-N -1 1 363.435 3.213 20 10 FGCDMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776751208 724179537 /nfs/dbraw/zinc/17/95/37/724179537.db2.gz QWGKCPZJCSVZEU-UHFFFAOYSA-N -1 1 355.799 3.023 20 10 FGCDMM Cc1ccc(CC(=O)NCc2cccc(Br)c2[O-])c(Cl)n1 ZINC000807416414 725160967 /nfs/dbraw/zinc/16/09/67/725160967.db2.gz DYKOTFBSCOGZQG-UHFFFAOYSA-N -1 1 369.646 3.370 20 10 FGCDMM CCNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809691980 725259254 /nfs/dbraw/zinc/25/92/54/725259254.db2.gz VJXBTFHBUSEZIA-CYBMUJFWSA-N -1 1 371.821 3.054 20 10 FGCDMM CSCc1cccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000811460114 725366781 /nfs/dbraw/zinc/36/67/81/725366781.db2.gz XXBMFYKGYCSLAB-UHFFFAOYSA-N -1 1 367.268 3.343 20 10 FGCDMM O=C1CCCCN1CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816514108 727170226 /nfs/dbraw/zinc/17/02/26/727170226.db2.gz MQEYBOYNCCAWLH-UHFFFAOYSA-N -1 1 354.853 3.409 20 10 FGCDMM CN(C)C(=O)COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816522765 727171596 /nfs/dbraw/zinc/17/15/96/727171596.db2.gz MXJZLXUNTUXFSQ-UHFFFAOYSA-N -1 1 352.793 3.264 20 10 FGCDMM CNC(=O)CCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816526531 727171854 /nfs/dbraw/zinc/17/18/54/727171854.db2.gz GZFBQACUPRLZCU-UHFFFAOYSA-N -1 1 352.793 3.312 20 10 FGCDMM CCn1ncc(C)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000825150268 729372894 /nfs/dbraw/zinc/37/28/94/729372894.db2.gz DOMWBJBAPABGLJ-UHFFFAOYSA-N -1 1 353.220 3.001 20 10 FGCDMM Cc1cc(F)cc([C@]2(F)CCN(C(=O)c3c([O-])c(O)ccc3F)C2)c1 ZINC000831314545 729632682 /nfs/dbraw/zinc/63/26/82/729632682.db2.gz LISXPXFJQCKEID-SFHVURJKSA-N -1 1 351.324 3.395 20 10 FGCDMM Cc1cc(Br)c([O-])c([C@H]2NC(=O)[C@@H]3c4ccccc4CCN23)c1 ZINC000840822352 730179646 /nfs/dbraw/zinc/17/96/46/730179646.db2.gz TXZXCWIHHIYRCL-RDJZCZTQSA-N -1 1 373.250 3.191 20 10 FGCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCCO1 ZINC000847440577 731055935 /nfs/dbraw/zinc/05/59/35/731055935.db2.gz HYMFYEFCAQQCOR-KGLIPLIRSA-N -1 1 371.275 3.302 20 10 FGCDMM C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848639291 731190607 /nfs/dbraw/zinc/19/06/07/731190607.db2.gz GOZUHGXAUGAQSG-TVYUQYBPSA-N -1 1 356.260 3.380 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000890758004 739827697 /nfs/dbraw/zinc/82/76/97/739827697.db2.gz PNBFBVLQRTYZIZ-LSDHHAIUSA-N -1 1 364.873 3.091 20 10 FGCDMM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890759901 739828421 /nfs/dbraw/zinc/82/84/21/739828421.db2.gz VITJGNJLPOWGIL-ZFWWWQNUSA-N -1 1 361.825 3.483 20 10 FGCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1N1CCOCC1 ZINC000890761117 739828736 /nfs/dbraw/zinc/82/87/36/739828736.db2.gz LCCDAQPUUTVEBY-UHFFFAOYSA-N -1 1 360.841 3.121 20 10 FGCDMM COc1ccc2c(c1)OCC[C@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893238756 742128494 /nfs/dbraw/zinc/12/84/94/742128494.db2.gz PFTHZUGAGIIAQN-OAHLLOKOSA-N -1 1 362.813 3.377 20 10 FGCDMM COCCO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894530796 742295750 /nfs/dbraw/zinc/29/57/50/742295750.db2.gz MTNZHXJRLYYCNJ-GFCCVEGCSA-N -1 1 364.667 3.045 20 10 FGCDMM CC(C)(C)c1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])c(=O)[nH]1 ZINC000896078726 742492016 /nfs/dbraw/zinc/49/20/16/742492016.db2.gz CKOLPJHOFPYDNU-UHFFFAOYSA-N -1 1 363.845 3.443 20 10 FGCDMM Cc1csc(C[C@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)n1 ZINC000899546047 742966836 /nfs/dbraw/zinc/96/68/36/742966836.db2.gz YRMVJCDSXYSHLU-LLVKDONJSA-N -1 1 350.415 3.097 20 10 FGCDMM C[C@]1(CS(=O)(=O)NCc2cccc(Cl)c2[O-])CC1(Cl)Cl ZINC000908327933 744279489 /nfs/dbraw/zinc/27/94/89/744279489.db2.gz KRURXBYQGRFVAX-LLVKDONJSA-N -1 1 358.674 3.049 20 10 FGCDMM C[C@@H](NC(=O)c1ccc(Cl)cc1[O-])c1ccc(N2CCOCC2)cc1 ZINC000920881002 758614654 /nfs/dbraw/zinc/61/46/54/758614654.db2.gz KUXQLQOBCSMCIC-CYBMUJFWSA-N -1 1 360.841 3.373 20 10 FGCDMM CC[C@H](C)c1nc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000277514016 496799329 /nfs/dbraw/zinc/79/93/29/496799329.db2.gz WSHBVLVQDRPRJR-IUCAKERBSA-N -1 1 353.810 3.436 20 10 FGCDMM O=C(NCCCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000277576746 496818132 /nfs/dbraw/zinc/81/81/32/496818132.db2.gz SBJYKDNTAFFJMW-UHFFFAOYSA-N -1 1 355.154 3.296 20 10 FGCDMM COc1cccc(-n2cc(CN[C@H](C)c3ccc(F)c(F)c3[O-])nn2)c1 ZINC000364794152 498146225 /nfs/dbraw/zinc/14/62/25/498146225.db2.gz QZSRLSPYDSMARH-LLVKDONJSA-N -1 1 360.364 3.111 20 10 FGCDMM CO[C@H]1CCC[C@@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000281452618 498156427 /nfs/dbraw/zinc/15/64/27/498156427.db2.gz CPNUFJLCXLHJEB-YPMHNXCESA-N -1 1 356.260 3.366 20 10 FGCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc(CN2CCOCC2)n1 ZINC000293559444 498411597 /nfs/dbraw/zinc/41/15/97/498411597.db2.gz HWKOIHVWGHKWJY-UHFFFAOYSA-N -1 1 351.809 3.024 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000528077977 504062195 /nfs/dbraw/zinc/06/21/95/504062195.db2.gz ITIKLYDCHIHCCM-NTZNESFSSA-N -1 1 353.260 3.390 20 10 FGCDMM O=C1[N-]C(=S)SC1=Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112224162 700556673 /nfs/dbraw/zinc/55/66/73/700556673.db2.gz WOGKZDLMSJXCTP-BJMVGYQFSA-N -1 1 366.265 3.328 20 10 FGCDMM COc1ccc(O)c(C[N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000119839108 700640322 /nfs/dbraw/zinc/64/03/22/700640322.db2.gz KXINDXKESSQXEH-UHFFFAOYSA-N -1 1 368.263 3.248 20 10 FGCDMM O=C1[N-]C(=S)SC1=Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000171814247 705396868 /nfs/dbraw/zinc/39/68/68/705396868.db2.gz IPCDRXMDRKGWOO-YHYXMXQVSA-N -1 1 366.265 3.328 20 10 FGCDMM CCCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000177279242 705615904 /nfs/dbraw/zinc/61/59/04/705615904.db2.gz GSYQBQFOXFGYQV-HNNXBMFYSA-N -1 1 373.902 3.037 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000189424848 712793824 /nfs/dbraw/zinc/79/38/24/712793824.db2.gz SBYZVCXIJWTEHL-UHFFFAOYSA-N -1 1 354.359 3.111 20 10 FGCDMM O=C(COC(=O)c1cc(F)cc(Br)c1)c1ccc([O-])c(O)c1 ZINC000782943111 724710775 /nfs/dbraw/zinc/71/07/75/724710775.db2.gz WDHRZMIVBTWCIV-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM C[C@@H](CSCc1ccccc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784298893 724840430 /nfs/dbraw/zinc/84/04/30/724840430.db2.gz VQBMCHRTLNHCPM-ZDUSSCGKSA-N -1 1 360.431 3.393 20 10 FGCDMM CN(C)c1ccc(CN[C@H](C(=O)[O-])c2ccccc2Br)cc1 ZINC000756347064 722963192 /nfs/dbraw/zinc/96/31/92/722963192.db2.gz FBROPYOIDFOWBP-INIZCTEOSA-N -1 1 363.255 3.431 20 10 FGCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OCC)c(C)c1 ZINC000790411915 723137021 /nfs/dbraw/zinc/13/70/21/723137021.db2.gz VKOUBGCUQGNOER-UHFFFAOYSA-N -1 1 351.424 3.299 20 10 FGCDMM CO[C@@H]1[C@H](C)[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764804359 723448275 /nfs/dbraw/zinc/44/82/75/723448275.db2.gz FPZMVBGOXFHEFF-OWYVNGRQSA-N -1 1 371.275 3.013 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nc2c(s1)CCC2 ZINC000765211462 723494300 /nfs/dbraw/zinc/49/43/00/723494300.db2.gz CKNSGAKATCVWMB-UHFFFAOYSA-N -1 1 368.256 3.422 20 10 FGCDMM Cc1nccc(NC(=O)NCc2cccc(Br)c2[O-])c1Cl ZINC000765339552 723506939 /nfs/dbraw/zinc/50/69/39/723506939.db2.gz NKQXOFJXIUQAQF-UHFFFAOYSA-N -1 1 370.634 3.255 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2ccccc2oc1=O ZINC000765746751 723537575 /nfs/dbraw/zinc/53/75/75/723537575.db2.gz IOGRTIGNIOKAOU-UHFFFAOYSA-N -1 1 374.190 3.191 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1OCCc2ccccc21 ZINC000765748601 723537582 /nfs/dbraw/zinc/53/75/82/723537582.db2.gz XQRZJCNYNZBSCR-MRXNPFEDSA-N -1 1 362.223 3.085 20 10 FGCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765758444 723538704 /nfs/dbraw/zinc/53/87/04/723538704.db2.gz WJJNESAZDOGWRD-UHFFFAOYSA-N -1 1 350.212 3.402 20 10 FGCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1Cl ZINC000766050531 723552872 /nfs/dbraw/zinc/55/28/72/723552872.db2.gz ISXSGUDPJQJQPP-UHFFFAOYSA-N -1 1 355.799 3.058 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC(c3nc4ccccc4[nH]3)C2)c1[O-] ZINC000769478088 723686792 /nfs/dbraw/zinc/68/67/92/723686792.db2.gz CFEVFTMLDOXJNC-UHFFFAOYSA-N -1 1 358.785 3.430 20 10 FGCDMM CN1CCN(c2ccc(/C=C\c3ncc(/C=C\C(=O)[O-])s3)cc2)CC1 ZINC000771524327 723736996 /nfs/dbraw/zinc/73/69/96/723736996.db2.gz IHYUVFWOQHFFMT-CKCLTMHVSA-N -1 1 355.463 3.163 20 10 FGCDMM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000786441325 724979117 /nfs/dbraw/zinc/97/91/17/724979117.db2.gz NQUQHCMCFRHFLH-XFJVYGCCSA-N -1 1 351.830 3.022 20 10 FGCDMM O=C(COC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ccc([O-])c(O)c1 ZINC000787145943 725017893 /nfs/dbraw/zinc/01/78/93/725017893.db2.gz WCSWEDUEYDMRJE-NXEZZACHSA-N -1 1 352.795 3.342 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2CC(F)F)c1 ZINC000809712155 725261620 /nfs/dbraw/zinc/26/16/20/725261620.db2.gz DFQQJVLJNPMQPG-LLVKDONJSA-N -1 1 350.203 3.319 20 10 FGCDMM Cc1cc(F)c(S(=O)(=O)[N-]CCCSc2nccs2)c(F)c1 ZINC000819869949 728948568 /nfs/dbraw/zinc/94/85/68/728948568.db2.gz AWJSOSAKCYTSCU-UHFFFAOYSA-N -1 1 364.464 3.190 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000811519018 725372347 /nfs/dbraw/zinc/37/23/47/725372347.db2.gz RVRNUUHZSRPVAX-GOEBONIOSA-N -1 1 352.818 3.487 20 10 FGCDMM O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC000825575272 729388120 /nfs/dbraw/zinc/38/81/20/729388120.db2.gz LJJYTQXGAZNXKC-NSHDSACASA-N -1 1 364.804 3.147 20 10 FGCDMM CC[C@@H](NCc1nc(C(N)=O)cs1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850540727 731371379 /nfs/dbraw/zinc/37/13/79/731371379.db2.gz NUPAYLSHEXHGKU-SNVBAGLBSA-N -1 1 360.266 3.495 20 10 FGCDMM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890759898 739827929 /nfs/dbraw/zinc/82/79/29/739827929.db2.gz VITJGNJLPOWGIL-DZGCQCFKSA-N -1 1 361.825 3.483 20 10 FGCDMM COC(=O)[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])C[C@@H]1c1ccccc1 ZINC000890762408 739828565 /nfs/dbraw/zinc/82/85/65/739828565.db2.gz BPJZALRMGYQDJL-KUHUBIRLSA-N -1 1 359.809 3.009 20 10 FGCDMM CCCCn1cc(CNC(=O)NCc2cccc(Cl)c2[O-])c(C)n1 ZINC000893992205 742223529 /nfs/dbraw/zinc/22/35/29/742223529.db2.gz JJPHGCDEWNBCQP-UHFFFAOYSA-N -1 1 350.850 3.350 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000895195053 742386341 /nfs/dbraw/zinc/38/63/41/742386341.db2.gz MMUGDCMYKMXQSB-GOEBONIOSA-N -1 1 361.829 3.160 20 10 FGCDMM O=C(C[C@H]1CCC2(CCC2)O1)NCc1cccc(Br)c1[O-] ZINC000897577458 742691429 /nfs/dbraw/zinc/69/14/29/742691429.db2.gz WJJQGDJKHVEOSC-GFCCVEGCSA-N -1 1 354.244 3.263 20 10 FGCDMM CC1(C)CCC[C@@H](CS(=O)(=O)Nc2cc(F)c([O-])cc2Cl)O1 ZINC000901962226 743686605 /nfs/dbraw/zinc/68/66/05/743686605.db2.gz CYMCAAPFAFPDAM-VIFPVBQESA-N -1 1 351.827 3.274 20 10 FGCDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cc(C)cc(C)c1 ZINC000093942449 494937688 /nfs/dbraw/zinc/93/76/88/494937688.db2.gz NROUFJIKFFDXEJ-UHFFFAOYSA-N -1 1 362.451 3.047 20 10 FGCDMM O=C([O-])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000296857797 498225441 /nfs/dbraw/zinc/22/54/41/498225441.db2.gz KVMSPDWOFACOOP-CTBAPTLKSA-N -1 1 352.394 3.447 20 10 FGCDMM O=C([O-])[C@@H]1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000296857797 498225446 /nfs/dbraw/zinc/22/54/46/498225446.db2.gz KVMSPDWOFACOOP-CTBAPTLKSA-N -1 1 352.394 3.447 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cc2n(n1)CCCC2 ZINC000287325577 498716636 /nfs/dbraw/zinc/71/66/36/498716636.db2.gz LANIPXGAVITAAU-UHFFFAOYSA-N -1 1 365.231 3.009 20 10 FGCDMM Cc1ncsc1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000299051480 498952665 /nfs/dbraw/zinc/95/26/65/498952665.db2.gz SVHRAJOQYYQOOA-UHFFFAOYSA-N -1 1 355.257 3.169 20 10 FGCDMM CCOc1ccc(C[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C(=O)[O-])cc1 ZINC000833664464 605519858 /nfs/dbraw/zinc/51/98/58/605519858.db2.gz SXTXWCYZYCMBFF-CQSZACIVSA-N -1 1 363.841 3.477 20 10 FGCDMM O=C(COC(=O)c1ccc(Br)cc1F)c1ccc([O-])c(O)c1 ZINC000782198588 724637143 /nfs/dbraw/zinc/63/71/43/724637143.db2.gz GCLHJRUVCNTTSA-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)sc2nccc(C)c12 ZINC000782711483 724696162 /nfs/dbraw/zinc/69/61/62/724696162.db2.gz MBDQPKLOIJZNLE-UHFFFAOYSA-N -1 1 357.387 3.364 20 10 FGCDMM COC(=O)CN(Cc1ccccc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750039561 722752708 /nfs/dbraw/zinc/75/27/08/722752708.db2.gz PYSMJGQESZVASY-UHFFFAOYSA-N -1 1 361.825 3.423 20 10 FGCDMM CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000752090605 722844936 /nfs/dbraw/zinc/84/49/36/722844936.db2.gz BCKCMJVVYWQNFI-SJORKVTESA-N -1 1 366.889 3.470 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000755028963 722949447 /nfs/dbraw/zinc/94/94/47/722949447.db2.gz DRUWRQQLIFVEOE-UHFFFAOYSA-N -1 1 368.436 3.440 20 10 FGCDMM C[C@H](Nc1cccc2c1CCN2S(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000757695947 722978453 /nfs/dbraw/zinc/97/84/53/722978453.db2.gz KSQFMPLLHYWPNB-JTQLQIEISA-N -1 1 368.405 3.166 20 10 FGCDMM CCOc1cc(C(=O)NCc2cc(OC)ccc2O)cc(Cl)c1[O-] ZINC000762621136 723263387 /nfs/dbraw/zinc/26/33/87/723263387.db2.gz DMCDLKGEJSJBGW-UHFFFAOYSA-N -1 1 351.786 3.089 20 10 FGCDMM O=S(=O)(NC1CC1)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000792174833 723318517 /nfs/dbraw/zinc/31/85/17/723318517.db2.gz IGZNFUNHPZIVPF-UHFFFAOYSA-N -1 1 352.843 3.098 20 10 FGCDMM CC(C)CSCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764798202 723447456 /nfs/dbraw/zinc/44/74/56/723447456.db2.gz BHEOZOSUIKFIBI-UHFFFAOYSA-N -1 1 361.305 3.343 20 10 FGCDMM Cc1ccncc1[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000765537209 723521781 /nfs/dbraw/zinc/52/17/81/723521781.db2.gz PQYRUMLXZDCWRT-NSHDSACASA-N -1 1 364.243 3.419 20 10 FGCDMM COc1c(F)ccc(F)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765727315 723535541 /nfs/dbraw/zinc/53/55/41/723535541.db2.gz LLSKHQQULWHWOH-UHFFFAOYSA-N -1 1 372.165 3.372 20 10 FGCDMM C[C@@H](COc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765730426 723535984 /nfs/dbraw/zinc/53/59/84/723535984.db2.gz VEKUFPQKQADBLJ-LBPRGKRZSA-N -1 1 364.239 3.486 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1csc([N+](=O)[O-])c1 ZINC000765755944 723538471 /nfs/dbraw/zinc/53/84/71/723538471.db2.gz KBIMWJAEVHGNFD-UHFFFAOYSA-N -1 1 357.185 3.054 20 10 FGCDMM Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1S(=O)(=O)N(C)C ZINC000796387694 723635813 /nfs/dbraw/zinc/63/58/13/723635813.db2.gz FYTHIWPCCAYGDO-UHFFFAOYSA-N -1 1 372.849 3.356 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)ccc1O ZINC000797819283 723865997 /nfs/dbraw/zinc/86/59/97/723865997.db2.gz DCKOPLBKDFIVPQ-UHFFFAOYSA-N -1 1 372.786 3.072 20 10 FGCDMM COc1c([O-])c(CN2CCc3c(F)ccc(F)c3C2)ccc1[N+](=O)[O-] ZINC000774911141 723941925 /nfs/dbraw/zinc/94/19/25/723941925.db2.gz YWZUPQLBEVQYGN-UHFFFAOYSA-N -1 1 350.321 3.146 20 10 FGCDMM CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643445 724014324 /nfs/dbraw/zinc/01/43/24/724014324.db2.gz XVSWZWCFBFDWPC-UHFFFAOYSA-N -1 1 368.811 3.462 20 10 FGCDMM O=C(Cc1cccc(Cl)c1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000789251028 725117751 /nfs/dbraw/zinc/11/77/51/725117751.db2.gz WXLMBMYRAYCNAF-UHFFFAOYSA-N -1 1 355.173 3.373 20 10 FGCDMM Cc1ccc(NCc2cccc(Cl)c2[O-])cc1S(=O)(=O)NC1CC1 ZINC000809684217 725258446 /nfs/dbraw/zinc/25/84/46/725258446.db2.gz SFEQXNQOVNNPLN-UHFFFAOYSA-N -1 1 366.870 3.407 20 10 FGCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1ncc(C2OCCO2)s1 ZINC000809775386 725267566 /nfs/dbraw/zinc/26/75/66/725267566.db2.gz AIOIKXMNFSTNDO-UHFFFAOYSA-N -1 1 361.250 3.491 20 10 FGCDMM Cc1csc([C@@H](C)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000834476424 729806984 /nfs/dbraw/zinc/80/69/84/729806984.db2.gz YKNMZOYVNBCJCZ-VIFPVBQESA-N -1 1 355.257 3.340 20 10 FGCDMM CC(C)(C)n1ccc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000847929808 731111782 /nfs/dbraw/zinc/11/17/82/731111782.db2.gz LOQDBNKUFARALS-UHFFFAOYSA-N -1 1 352.232 3.036 20 10 FGCDMM COCCN(Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](O)C(F)(F)F ZINC000848921451 731220965 /nfs/dbraw/zinc/22/09/65/731220965.db2.gz BHQGUIACIMORNE-LLVKDONJSA-N -1 1 362.175 3.071 20 10 FGCDMM COCCOc1ccccc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892235084 739978493 /nfs/dbraw/zinc/97/84/93/739978493.db2.gz KMZCYCSCWWWDKE-UHFFFAOYSA-N -1 1 364.829 3.070 20 10 FGCDMM Cc1nc([C@H]2CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)no1 ZINC000896229213 742518194 /nfs/dbraw/zinc/51/81/94/742518194.db2.gz ARDSOHLKEOZDPA-VIFPVBQESA-N -1 1 372.650 3.489 20 10 FGCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000072845913 494265021 /nfs/dbraw/zinc/26/50/21/494265021.db2.gz XBBYBZIOQBEXCH-UHFFFAOYSA-N -1 1 360.841 3.154 20 10 FGCDMM CCc1cnc(CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277428415 496769862 /nfs/dbraw/zinc/76/98/62/496769862.db2.gz LSPYJHHURQHKTG-UHFFFAOYSA-N -1 1 370.272 3.173 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c(s1)CCOC2 ZINC000277547243 496808732 /nfs/dbraw/zinc/80/87/32/496808732.db2.gz NWRMBELTXAUROX-UHFFFAOYSA-N -1 1 368.252 3.219 20 10 FGCDMM C[C@@H]1CCCC[C@@H]1c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000273858542 496934406 /nfs/dbraw/zinc/93/44/06/496934406.db2.gz MCWUQPNEAHOMDB-PWSUYJOCSA-N -1 1 351.428 3.107 20 10 FGCDMM COc1c([O-])c(CN2CCO[C@@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000278166148 497025736 /nfs/dbraw/zinc/02/57/36/497025736.db2.gz FGNUTHXILIFFNC-MRXNPFEDSA-N -1 1 362.357 3.022 20 10 FGCDMM Cc1nn2c(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)c(C)nc2s1 ZINC000270997668 497242815 /nfs/dbraw/zinc/24/28/15/497242815.db2.gz JZYUMKSHDDPZEQ-INIZCTEOSA-N -1 1 372.494 3.294 20 10 FGCDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)C)c(O)cc1C ZINC000268013108 497659244 /nfs/dbraw/zinc/65/92/44/497659244.db2.gz SBTZWPSUTZACFT-UHFFFAOYSA-N -1 1 353.396 3.224 20 10 FGCDMM CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000378007549 499754710 /nfs/dbraw/zinc/75/47/10/499754710.db2.gz QEGPYYQBTJFSGE-ZWKOTPCHSA-N -1 1 362.445 3.099 20 10 FGCDMM Cc1ccc(NCc2cccc(Br)c2[O-])cc1-n1cnnn1 ZINC000098039215 700464518 /nfs/dbraw/zinc/46/45/18/700464518.db2.gz MAHKDHQJLKHTJV-UHFFFAOYSA-N -1 1 360.215 3.051 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000189431703 712794234 /nfs/dbraw/zinc/79/42/34/712794234.db2.gz CHUPXBYJGPZUJA-UHFFFAOYSA-N -1 1 354.359 3.111 20 10 FGCDMM CO[C@H](C)c1noc(CN(C)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000781906775 724610523 /nfs/dbraw/zinc/61/05/23/724610523.db2.gz CBAVEUAUQQHCTI-SNVBAGLBSA-N -1 1 370.247 3.186 20 10 FGCDMM O=C(COC(=O)c1ccc(SC(F)F)cc1)c1ccc([O-])c(O)c1 ZINC000782283765 724647928 /nfs/dbraw/zinc/64/79/28/724647928.db2.gz UPCYSFWWGKUYPB-UHFFFAOYSA-N -1 1 354.330 3.452 20 10 FGCDMM Cc1ccc(Br)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784182834 724829227 /nfs/dbraw/zinc/82/92/27/724829227.db2.gz SBKWHQZJGRNNPK-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000747654050 722654842 /nfs/dbraw/zinc/65/48/42/722654842.db2.gz IXNWFEOOHYPAQT-UHFFFAOYSA-N -1 1 358.254 3.414 20 10 FGCDMM C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1c([O-])c(O)ccc1F ZINC000789957296 723088099 /nfs/dbraw/zinc/08/80/99/723088099.db2.gz OFROGDVEBPBMAT-VIFPVBQESA-N -1 1 368.202 3.360 20 10 FGCDMM CC(C)Oc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000762000771 723205362 /nfs/dbraw/zinc/20/53/62/723205362.db2.gz OVMUJQZWUSSWSI-UHFFFAOYSA-N -1 1 363.435 3.305 20 10 FGCDMM O=C(NCc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000764746701 723442257 /nfs/dbraw/zinc/44/22/57/723442257.db2.gz NKDVQFDLHVHDKJ-UHFFFAOYSA-N -1 1 353.191 3.293 20 10 FGCDMM Cc1noc(C)c1[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764780758 723444964 /nfs/dbraw/zinc/44/49/64/723444964.db2.gz SGVQZPXGLGUCGV-QMMMGPOBSA-N -1 1 368.231 3.320 20 10 FGCDMM CCOC[C@H](NC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000764808321 723449052 /nfs/dbraw/zinc/44/90/52/723449052.db2.gz WXCVGKYKTKMISH-ZDUSSCGKSA-N -1 1 359.264 3.015 20 10 FGCDMM CCc1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765732866 723536402 /nfs/dbraw/zinc/53/64/02/723536402.db2.gz UAACOPBDAZTQLM-UHFFFAOYSA-N -1 1 355.257 3.412 20 10 FGCDMM CO[C@](C)(C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765748667 723537684 /nfs/dbraw/zinc/53/76/84/723537684.db2.gz ZOWDVGZSQFHUBH-KRWDZBQOSA-N -1 1 364.239 3.333 20 10 FGCDMM COc1ccc(OC)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765751549 723538088 /nfs/dbraw/zinc/53/80/88/723538088.db2.gz FXWNFLFCLAUHLW-UHFFFAOYSA-N -1 1 366.211 3.102 20 10 FGCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(OC)c1 ZINC000765756877 723538376 /nfs/dbraw/zinc/53/83/76/723538376.db2.gz NSXQCJOMPRPZFL-UHFFFAOYSA-N -1 1 366.211 3.102 20 10 FGCDMM CSc1cc(C(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765763580 723539153 /nfs/dbraw/zinc/53/91/53/723539153.db2.gz DRDZROYLBDVLSC-UHFFFAOYSA-N -1 1 353.241 3.202 20 10 FGCDMM Cc1cccc(F)c1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766201773 723560905 /nfs/dbraw/zinc/56/09/05/723560905.db2.gz UZDVOCGVRUKGCT-UHFFFAOYSA-N -1 1 374.231 3.081 20 10 FGCDMM Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Br)c1[O-] ZINC000772660310 723765116 /nfs/dbraw/zinc/76/51/16/723765116.db2.gz SSYONHZOZFXCDL-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM CSc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000775588457 724003641 /nfs/dbraw/zinc/00/36/41/724003641.db2.gz PCASZYWKQOXPEK-UHFFFAOYSA-N -1 1 366.464 3.046 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)C3CC3)CC2(C)C)c1[O-] ZINC000776605877 724163941 /nfs/dbraw/zinc/16/39/41/724163941.db2.gz QNQOPUMCELPMSY-UHFFFAOYSA-N -1 1 364.873 3.081 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C3CCC3)cc2)c1 ZINC000787683790 725035176 /nfs/dbraw/zinc/03/51/76/725035176.db2.gz BXCDDWAZNRKWMU-UHFFFAOYSA-N -1 1 360.435 3.284 20 10 FGCDMM CC[C@@H](NCc1nnnn1CC1CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806158048 725118618 /nfs/dbraw/zinc/11/86/18/725118618.db2.gz DFOWFHMTZFRETO-CYBMUJFWSA-N -1 1 356.257 3.336 20 10 FGCDMM COC(=O)c1conc1C(C)(C)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000823680252 729298265 /nfs/dbraw/zinc/29/82/65/729298265.db2.gz IPAJZCBFQSJZPM-UHFFFAOYSA-N -1 1 366.801 3.048 20 10 FGCDMM COc1ccccc1SC[C@@H](C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825737180 729393619 /nfs/dbraw/zinc/39/36/19/729393619.db2.gz UVLFBKMVNLUESE-NSHDSACASA-N -1 1 365.426 3.404 20 10 FGCDMM CC(C)(CNC(=O)NCc1cccc(Br)c1[O-])OCC1CC1 ZINC000840427601 730144528 /nfs/dbraw/zinc/14/45/28/730144528.db2.gz JXCVEEIQIDTQOZ-UHFFFAOYSA-N -1 1 371.275 3.159 20 10 FGCDMM CCc1csc(CC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)n1 ZINC000848390582 731160407 /nfs/dbraw/zinc/16/04/07/731160407.db2.gz BAVQAQFDBOUJDY-UHFFFAOYSA-N -1 1 364.442 3.351 20 10 FGCDMM C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc(Br)c(F)cc1[O-] ZINC000850498876 731364875 /nfs/dbraw/zinc/36/48/75/731364875.db2.gz FEURDYSQOUUHDE-YVZVNANGSA-N -1 1 355.211 3.242 20 10 FGCDMM CC(C)(C)OCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000852550918 731600605 /nfs/dbraw/zinc/60/06/05/731600605.db2.gz INGKZJUMIXJINT-UHFFFAOYSA-N -1 1 359.264 3.159 20 10 FGCDMM CCn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C2CC2)n1 ZINC000867830831 733521860 /nfs/dbraw/zinc/52/18/60/733521860.db2.gz JQXPBVXMJZECQV-UHFFFAOYSA-N -1 1 364.243 3.179 20 10 FGCDMM CSCC[C@@H](NCc1ccc(F)c(F)c1[O-])c1nnc2ccccn21 ZINC000876902169 736160562 /nfs/dbraw/zinc/16/05/62/736160562.db2.gz APRCKBFWFUJQQD-CYBMUJFWSA-N -1 1 364.421 3.297 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ncsc1C1CC1 ZINC000879773838 737044500 /nfs/dbraw/zinc/04/45/00/737044500.db2.gz AGYRESMFCFEBIS-UHFFFAOYSA-N -1 1 353.241 3.419 20 10 FGCDMM O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1cccc(Cl)c1[O-] ZINC000890757498 739827387 /nfs/dbraw/zinc/82/73/87/739827387.db2.gz GAOMICFCEORROP-CYBMUJFWSA-N -1 1 358.825 3.253 20 10 FGCDMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCS1 ZINC000927237698 759924568 /nfs/dbraw/zinc/92/45/68/759924568.db2.gz FJYCTOVEUZLZMJ-MWLCHTKSSA-N -1 1 359.289 3.238 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](C[C@H]1CCCO1)C(F)(F)F ZINC000931865477 760986004 /nfs/dbraw/zinc/98/60/04/760986004.db2.gz JIZNHAISMDYLDK-ZYHUDNBSSA-N -1 1 366.767 3.345 20 10 FGCDMM COCCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000277481223 496786370 /nfs/dbraw/zinc/78/63/70/496786370.db2.gz PQVUIXICGPAZHP-UHFFFAOYSA-N -1 1 371.275 3.161 20 10 FGCDMM CCOCCC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277583871 496820000 /nfs/dbraw/zinc/82/00/00/496820000.db2.gz SSDQSTDBIUQEDV-UHFFFAOYSA-N -1 1 371.275 3.161 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCOC2(CCC2)C1 ZINC000277750768 496875001 /nfs/dbraw/zinc/87/50/01/496875001.db2.gz NKXDOPWTTZMYDO-GFCCVEGCSA-N -1 1 369.259 3.056 20 10 FGCDMM Cc1cc(C(=O)CN2CC[C@](C)(C(=O)[O-])C2)c(C)n1-c1ccc(C)cc1 ZINC000263577722 497802685 /nfs/dbraw/zinc/80/26/85/497802685.db2.gz RTUJRXXEXLXEGA-NRFANRHFSA-N -1 1 354.450 3.382 20 10 FGCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000294773223 498800817 /nfs/dbraw/zinc/80/08/17/498800817.db2.gz GDRMPRIYHNNQNM-UHFFFAOYSA-N -1 1 367.323 3.199 20 10 FGCDMM CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000376212581 499591551 /nfs/dbraw/zinc/59/15/51/499591551.db2.gz UURUKNTWTWDQFT-JKSUJKDBSA-N -1 1 367.287 3.130 20 10 FGCDMM COc1cc(Br)cc(C[NH2+]Cc2noc3c2CCCC3)c1O ZINC000377409821 499688066 /nfs/dbraw/zinc/68/80/66/499688066.db2.gz VWGVQKMFGKNCGP-UHFFFAOYSA-N -1 1 367.243 3.320 20 10 FGCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])Cc1cc2ccccc2[nH]c1=O ZINC000739793318 600315797 /nfs/dbraw/zinc/31/57/97/600315797.db2.gz FKQAZJINQCTNEB-UHFFFAOYSA-N -1 1 372.808 3.386 20 10 FGCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])Cc1cc2ccccc2[nH]c1=O ZINC000739793318 600315801 /nfs/dbraw/zinc/31/58/01/600315801.db2.gz FKQAZJINQCTNEB-UHFFFAOYSA-N -1 1 372.808 3.386 20 10 FGCDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000834161613 605609871 /nfs/dbraw/zinc/60/98/71/605609871.db2.gz BTIFLDVNZFXHQY-YHWZYXNKSA-N -1 1 369.805 3.107 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1nnc(-c2ccon2)s1 ZINC000804654507 724537481 /nfs/dbraw/zinc/53/74/81/724537481.db2.gz RDRCJPKMLVIQNS-UHFFFAOYSA-N -1 1 353.201 3.273 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000781897828 724608717 /nfs/dbraw/zinc/60/87/17/724608717.db2.gz TXPNBPQSINSRGL-UHFFFAOYSA-N -1 1 369.303 3.153 20 10 FGCDMM Cc1c(Br)cccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783906998 724802081 /nfs/dbraw/zinc/80/20/81/724802081.db2.gz DBZFRDFWHQSADV-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000755987009 722959437 /nfs/dbraw/zinc/95/94/37/722959437.db2.gz XDADMLNPTFBGOI-UHFFFAOYSA-N -1 1 363.435 3.411 20 10 FGCDMM CCNC(=O)COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756803098 722970249 /nfs/dbraw/zinc/97/02/49/722970249.db2.gz NLJMNZLEHKAJBN-NSHDSACASA-N -1 1 350.365 3.358 20 10 FGCDMM O=C(NC[C@@H](O)c1cc(Cl)cc(Cl)c1)c1c([O-])c(O)ccc1F ZINC000789977126 723090254 /nfs/dbraw/zinc/09/02/54/723090254.db2.gz QJRCLBAPLXBZII-GFCCVEGCSA-N -1 1 360.168 3.007 20 10 FGCDMM C[C@@H](CC(F)(F)F)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764803630 723448330 /nfs/dbraw/zinc/44/83/30/723448330.db2.gz BDIWFNIYVLUNFQ-ZETCQYMHSA-N -1 1 355.154 3.295 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1ccc2nnc(C(F)F)n2n1 ZINC000764935608 723461343 /nfs/dbraw/zinc/46/13/43/723461343.db2.gz ZUTCNLXIUZEEGN-UHFFFAOYSA-N -1 1 370.157 3.142 20 10 FGCDMM CCc1csc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765304652 723504508 /nfs/dbraw/zinc/50/45/08/723504508.db2.gz QAMOMKNGFKRGOI-UHFFFAOYSA-N -1 1 356.245 3.495 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCCCS1 ZINC000765535985 723521878 /nfs/dbraw/zinc/52/18/78/723521878.db2.gz MERTUAREEYHEDT-LLVKDONJSA-N -1 1 359.289 3.240 20 10 FGCDMM COc1ccc(/C=C\C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765725929 723535326 /nfs/dbraw/zinc/53/53/26/723535326.db2.gz AHCDSEPKDWNPEI-YFHOEESVSA-N -1 1 362.223 3.493 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(Cl)c1F ZINC000765731131 723535873 /nfs/dbraw/zinc/53/58/73/723535873.db2.gz YIKJYMGPXLFXSB-UHFFFAOYSA-N -1 1 359.582 3.272 20 10 FGCDMM O=C(CCOc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765748582 723537570 /nfs/dbraw/zinc/53/75/70/723537570.db2.gz WZCYHVZAKOGCRR-UHFFFAOYSA-N -1 1 350.212 3.240 20 10 FGCDMM O=C(CCOc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000765750256 723537938 /nfs/dbraw/zinc/53/79/38/723537938.db2.gz DOYNQBUSHOAHCI-UHFFFAOYSA-N -1 1 368.202 3.379 20 10 FGCDMM O=C(CCOc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000765753035 723538147 /nfs/dbraw/zinc/53/81/47/723538147.db2.gz MRIOXCVMSGCYIV-UHFFFAOYSA-N -1 1 368.202 3.379 20 10 FGCDMM Cc1ccn2cc(C(=O)NCc3cccc(Br)c3[O-])nc2c1 ZINC000765751895 723538159 /nfs/dbraw/zinc/53/81/59/723538159.db2.gz UCAIZLXPSIEMCJ-UHFFFAOYSA-N -1 1 360.211 3.041 20 10 FGCDMM O=C(CCC(=O)c1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765756864 723538334 /nfs/dbraw/zinc/53/83/34/723538334.db2.gz NKXWHVINWJZKFS-UHFFFAOYSA-N -1 1 362.223 3.434 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(NC2CC2)n1 ZINC000765755470 723538542 /nfs/dbraw/zinc/53/85/42/723538542.db2.gz IQELNMFEKXPANV-UHFFFAOYSA-N -1 1 368.256 3.116 20 10 FGCDMM CCn1ncnc1CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000794842126 723548592 /nfs/dbraw/zinc/54/85/92/723548592.db2.gz PTVOSLDGXLHXGU-QMMMGPOBSA-N -1 1 359.655 3.270 20 10 FGCDMM COc1ccc(Cn2nc(C)c(C=C3SC(=S)[N-]C3=O)c2C)cc1 ZINC000767341085 723615231 /nfs/dbraw/zinc/61/52/31/723615231.db2.gz PNZRAHGQMWMFNY-OVCLIPMQSA-N -1 1 359.476 3.046 20 10 FGCDMM CNS(=O)(=O)c1cc(NCc2c([O-])ccc(Cl)c2F)ccc1C ZINC000796404402 723636509 /nfs/dbraw/zinc/63/65/09/723636509.db2.gz OSDIIXRWAZWFHI-UHFFFAOYSA-N -1 1 358.822 3.013 20 10 FGCDMM CC[C@H](NCc1nnnn1CC1CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775555225 723999917 /nfs/dbraw/zinc/99/99/17/723999917.db2.gz UKWBZZQGLXLAFV-LBPRGKRZSA-N -1 1 356.257 3.336 20 10 FGCDMM CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776014380 724097284 /nfs/dbraw/zinc/09/72/84/724097284.db2.gz RINMFNCTZAWZHB-OLZOCXBDSA-N -1 1 362.253 3.242 20 10 FGCDMM O=C(COC(=O)c1ccccc1OC(F)(F)F)c1ccc([O-])c(O)c1 ZINC000784536682 724861600 /nfs/dbraw/zinc/86/16/00/724861600.db2.gz GACUOXIFTWQKGD-UHFFFAOYSA-N -1 1 356.252 3.036 20 10 FGCDMM CCOc1c(Cl)cccc1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784925678 724884882 /nfs/dbraw/zinc/88/48/82/724884882.db2.gz QISNBYMZUHVLMK-UHFFFAOYSA-N -1 1 364.781 3.119 20 10 FGCDMM Cc1noc([C@@H]2CCCN2Cc2cc(C)cc(Br)c2[O-])n1 ZINC000809720418 725262371 /nfs/dbraw/zinc/26/23/71/725262371.db2.gz BVKMFMZJIUEILK-ZDUSSCGKSA-N -1 1 352.232 3.492 20 10 FGCDMM COc1ccc(N2CC[C@H](CNC(=O)c3c([O-])cccc3Cl)C2)cc1 ZINC000819586302 727383642 /nfs/dbraw/zinc/38/36/42/727383642.db2.gz MTYYOPDQVVZWBT-CYBMUJFWSA-N -1 1 360.841 3.311 20 10 FGCDMM C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1cc(Br)cc(F)c1[O-] ZINC000850498929 731365004 /nfs/dbraw/zinc/36/50/04/731365004.db2.gz GCCBIILYOLAPFD-YVZVNANGSA-N -1 1 355.211 3.242 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000852567198 731602190 /nfs/dbraw/zinc/60/21/90/731602190.db2.gz ZAGPMGQPLRRHRV-GMXVVIOVSA-N -1 1 353.260 3.390 20 10 FGCDMM O=C(COC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12)c1ccc([O-])c(O)c1 ZINC000859791230 732393462 /nfs/dbraw/zinc/39/34/62/732393462.db2.gz MOTFFLNWKZXXFV-JBBXEZCESA-N -1 1 358.777 3.063 20 10 FGCDMM [O-]c1c(F)c(F)ccc1CN1CCC(Oc2cncc(Cl)n2)CC1 ZINC000877427076 736217789 /nfs/dbraw/zinc/21/77/89/736217789.db2.gz UYZXNXVDVDARCA-UHFFFAOYSA-N -1 1 355.772 3.157 20 10 FGCDMM O=C(Cc1ccccc1O[C@@H]1CCOC1)NCc1cccc(Cl)c1[O-] ZINC000890761010 739828748 /nfs/dbraw/zinc/82/87/48/739828748.db2.gz IGUIYJFJSPLTFK-OAHLLOKOSA-N -1 1 361.825 3.072 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN1CCOC2(CCOCC2)CC1 ZINC000894476503 742288302 /nfs/dbraw/zinc/28/83/02/742288302.db2.gz APJVBSYFTHATEK-UHFFFAOYSA-N -1 1 374.250 3.065 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCOC2(CCC2)C1 ZINC000897577122 742691489 /nfs/dbraw/zinc/69/14/89/742691489.db2.gz SYWMNZYPDUPFBD-LLVKDONJSA-N -1 1 354.244 3.120 20 10 FGCDMM O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916617565 758108939 /nfs/dbraw/zinc/10/89/39/758108939.db2.gz HFFUJRRJZDZWJD-UHFFFAOYSA-N -1 1 371.172 3.210 20 10 FGCDMM COc1c([O-])c(CN[C@@H](C)c2noc(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000364755647 498129913 /nfs/dbraw/zinc/12/99/13/498129913.db2.gz BZDFOQVVGMCWQY-NSHDSACASA-N -1 1 370.365 3.210 20 10 FGCDMM O=C([N-]C1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C(F)(F)F ZINC000360172768 498253995 /nfs/dbraw/zinc/25/39/95/498253995.db2.gz KLBJOLQDNFINGB-UHFFFAOYSA-N -1 1 356.266 3.233 20 10 FGCDMM Cn1nc(NC(=O)NCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000290406646 498540371 /nfs/dbraw/zinc/54/03/71/498540371.db2.gz MJIFSDJZWGUCTL-UHFFFAOYSA-N -1 1 365.231 3.087 20 10 FGCDMM O=C(c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1)N1CCOCC1 ZINC000294652518 498763179 /nfs/dbraw/zinc/76/31/79/498763179.db2.gz KYKVXPBKLOAUPA-UHFFFAOYSA-N -1 1 364.804 3.269 20 10 FGCDMM CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000376212580 499591523 /nfs/dbraw/zinc/59/15/23/499591523.db2.gz UURUKNTWTWDQFT-HZPDHXFCSA-N -1 1 367.287 3.130 20 10 FGCDMM c1csc(SCCCNc2cc(-c3nnn[n-]3)nc3ccccc32)n1 ZINC000826523257 607519984 /nfs/dbraw/zinc/51/99/84/607519984.db2.gz GWUHWEXQXRTSEL-UHFFFAOYSA-N -1 1 369.479 3.466 20 10 FGCDMM c1csc(SCCCNc2cc(-c3nn[n-]n3)nc3ccccc32)n1 ZINC000826523257 607519986 /nfs/dbraw/zinc/51/99/86/607519986.db2.gz GWUHWEXQXRTSEL-UHFFFAOYSA-N -1 1 369.479 3.466 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1[O-] ZINC000823628935 604245804 /nfs/dbraw/zinc/24/58/04/604245804.db2.gz ZSAPUYKJTDIYMQ-CMPLNLGQSA-N -1 1 354.834 3.116 20 10 FGCDMM C[N@H+](Cc1cc(Br)ccc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833694149 604645269 /nfs/dbraw/zinc/64/52/69/604645269.db2.gz BKDMQNMYRKYFAL-HNNXBMFYSA-N -1 1 350.212 3.412 20 10 FGCDMM C[N@@H+](Cc1cc(Br)ccc1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833694149 604645272 /nfs/dbraw/zinc/64/52/72/604645272.db2.gz BKDMQNMYRKYFAL-HNNXBMFYSA-N -1 1 350.212 3.412 20 10 FGCDMM C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000833816563 605603214 /nfs/dbraw/zinc/60/32/14/605603214.db2.gz ZTZKQSXALWJADF-GHMZBOCLSA-N -1 1 357.248 3.023 20 10 FGCDMM COc1ccccc1-c1nnc(SCC(=O)c2ccc([O-])c(O)c2)o1 ZINC000012177340 695604846 /nfs/dbraw/zinc/60/48/46/695604846.db2.gz VDIPPCXKGJFJAU-UHFFFAOYSA-N -1 1 358.375 3.131 20 10 FGCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000078005178 700271879 /nfs/dbraw/zinc/27/18/79/700271879.db2.gz LHXOXESSPDBKHJ-UHFFFAOYSA-N -1 1 356.787 3.371 20 10 FGCDMM O=C(Cc1ccccc1C(F)(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783503620 724759117 /nfs/dbraw/zinc/75/91/17/724759117.db2.gz OPTJXQXOCOGIOD-UHFFFAOYSA-N -1 1 354.280 3.085 20 10 FGCDMM O=C(COC(=O)c1cccc(OC(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000784171409 724828539 /nfs/dbraw/zinc/82/85/39/724828539.db2.gz NNZNJPDHKPHYKB-UHFFFAOYSA-N -1 1 356.252 3.036 20 10 FGCDMM COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Br)cc2[O-])c1 ZINC000729279109 722458679 /nfs/dbraw/zinc/45/86/79/722458679.db2.gz ZFEGROLTYZNVSI-VIFPVBQESA-N -1 1 366.211 3.360 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000751360117 722802881 /nfs/dbraw/zinc/80/28/81/722802881.db2.gz DLNWRRCDHIWRLS-UHFFFAOYSA-N -1 1 374.340 3.035 20 10 FGCDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c([O-])c(O)ccc1F ZINC000790069473 723102590 /nfs/dbraw/zinc/10/25/90/723102590.db2.gz BILFMMJEYIUTMC-UHFFFAOYSA-N -1 1 354.721 3.071 20 10 FGCDMM COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1OC ZINC000790337001 723128283 /nfs/dbraw/zinc/12/82/83/723128283.db2.gz RNLGXLSNRDPHTA-UHFFFAOYSA-N -1 1 357.815 3.172 20 10 FGCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1C ZINC000792702742 723358787 /nfs/dbraw/zinc/35/87/87/723358787.db2.gz FKWITXTVXPIBKN-UHFFFAOYSA-N -1 1 367.448 3.010 20 10 FGCDMM Nc1c(F)c(NCc2cccc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC000764935544 723461351 /nfs/dbraw/zinc/46/13/51/723461351.db2.gz WBPNRVQRHDZZPA-UHFFFAOYSA-N -1 1 356.151 3.396 20 10 FGCDMM CS(=O)(=O)C[C@@H](NCc1cc(Cl)cc(F)c1[O-])c1ccccc1 ZINC000765659299 723531062 /nfs/dbraw/zinc/53/10/62/723531062.db2.gz XPUHSNYPCKFZJL-OAHLLOKOSA-N -1 1 357.834 3.060 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2nccnc21 ZINC000765728427 723535527 /nfs/dbraw/zinc/53/55/27/723535527.db2.gz RRPQQZDSSDGODA-UHFFFAOYSA-N -1 1 358.195 3.028 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1scnc1C1CC1 ZINC000765747455 723537628 /nfs/dbraw/zinc/53/76/28/723537628.db2.gz NSDRFHNMMUQUCT-UHFFFAOYSA-N -1 1 353.241 3.419 20 10 FGCDMM CCc1cccc(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765751260 723538118 /nfs/dbraw/zinc/53/81/18/723538118.db2.gz CQLVBOQRBNMTBH-UHFFFAOYSA-N -1 1 364.239 3.412 20 10 FGCDMM Cc1ccc(F)c(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752051 723538141 /nfs/dbraw/zinc/53/81/41/723538141.db2.gz FAXIUACOFGEFRF-UHFFFAOYSA-N -1 1 368.202 3.297 20 10 FGCDMM Cc1nc(CC2CC2)oc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765752614 723538285 /nfs/dbraw/zinc/53/82/85/723538285.db2.gz XYWHTJWSFYDZKJ-UHFFFAOYSA-N -1 1 365.227 3.334 20 10 FGCDMM COC1CCC(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765764092 723539112 /nfs/dbraw/zinc/53/91/12/723539112.db2.gz HRJQGLIKMDOMSM-UHFFFAOYSA-N -1 1 356.260 3.366 20 10 FGCDMM COCc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765771223 723539648 /nfs/dbraw/zinc/53/96/48/723539648.db2.gz WBQQBEHTISSWLY-UHFFFAOYSA-N -1 1 350.212 3.231 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000794687047 723540928 /nfs/dbraw/zinc/54/09/28/723540928.db2.gz FDDLJFIJUUQMGR-WZUFQYTHSA-N -1 1 355.366 3.380 20 10 FGCDMM CCNc1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765945426 723548040 /nfs/dbraw/zinc/54/80/40/723548040.db2.gz XGCQPSIZZDUMDE-UHFFFAOYSA-N -1 1 370.272 3.281 20 10 FGCDMM Cc1ccccc1CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199610 723560956 /nfs/dbraw/zinc/56/09/56/723560956.db2.gz GRXOSEBNYWKKPN-UHFFFAOYSA-N -1 1 370.268 3.083 20 10 FGCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@]2(CCOC2)O1 ZINC000796550009 723643146 /nfs/dbraw/zinc/64/31/46/723643146.db2.gz ALWJLMSPSUUCNZ-QAPCUYQASA-N -1 1 353.846 3.018 20 10 FGCDMM CN1C(=O)COc2cc(NCc3cccc(Br)c3[O-])ccc21 ZINC000798503811 723938513 /nfs/dbraw/zinc/93/85/13/723938513.db2.gz QVVSIHKEAVGLTN-UHFFFAOYSA-N -1 1 363.211 3.122 20 10 FGCDMM COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000786441322 724979154 /nfs/dbraw/zinc/97/91/54/724979154.db2.gz NQUQHCMCFRHFLH-PEYYIBSZSA-N -1 1 351.830 3.022 20 10 FGCDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115642 725184625 /nfs/dbraw/zinc/18/46/25/725184625.db2.gz MKUUQOYTQSNQDX-UHFFFAOYSA-N -1 1 364.713 3.033 20 10 FGCDMM CC(C)(C)c1n[nH]cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000816495657 727168106 /nfs/dbraw/zinc/16/81/06/727168106.db2.gz FCJQTCHBGLOQOL-UHFFFAOYSA-N -1 1 352.232 3.105 20 10 FGCDMM O=C1C[C@H](Cc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2)C(=O)N1 ZINC000816527461 727171951 /nfs/dbraw/zinc/17/19/51/727171951.db2.gz LMFPLBOINURYDP-NSHDSACASA-N -1 1 362.788 3.002 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829931660 729524053 /nfs/dbraw/zinc/52/40/53/729524053.db2.gz QLAJOWSCWHKVSM-UHFFFAOYSA-N -1 1 351.449 3.456 20 10 FGCDMM Cc1cc(Br)c([O-])c([C@@H]2NC(=O)[C@H]3c4ccccc4CCN23)c1 ZINC000840822349 730179615 /nfs/dbraw/zinc/17/96/15/730179615.db2.gz TXZXCWIHHIYRCL-NVXWUHKLSA-N -1 1 373.250 3.191 20 10 FGCDMM COC(=O)[C@@H]1CSCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000840975777 730200066 /nfs/dbraw/zinc/20/00/66/730200066.db2.gz ACAOGUHELWULKJ-JTQLQIEISA-N -1 1 350.267 3.037 20 10 FGCDMM C[C@@H](O)[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1F ZINC000846017905 730919105 /nfs/dbraw/zinc/91/91/05/730919105.db2.gz RGAHJAZUIVMCNM-PSLIRLAXSA-N -1 1 354.765 3.305 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000849309741 731245942 /nfs/dbraw/zinc/24/59/42/731245942.db2.gz LBZFVESXVLMJCU-KRWDZBQOSA-N -1 1 357.472 3.128 20 10 FGCDMM CSCC1(CCNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000852502123 731593851 /nfs/dbraw/zinc/59/38/51/731593851.db2.gz AEUKGTSVANMHKB-UHFFFAOYSA-N -1 1 373.316 3.487 20 10 FGCDMM O=C(NC[C@H]1CCN(c2ccccc2Cl)C1)c1c(F)ccc(O)c1[O-] ZINC000857301317 732118712 /nfs/dbraw/zinc/11/87/12/732118712.db2.gz QMHCRLWZJSKBFH-LLVKDONJSA-N -1 1 364.804 3.147 20 10 FGCDMM COc1cccc2c1O[C@H](c1cc(C)cc(Br)c1[O-])NC2=O ZINC000877843116 736734842 /nfs/dbraw/zinc/73/48/42/736734842.db2.gz NHRAAAHTTCEPOA-MRXNPFEDSA-N -1 1 364.195 3.293 20 10 FGCDMM O=C(c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCSCC1 ZINC000883059473 737517062 /nfs/dbraw/zinc/51/70/62/737517062.db2.gz YMKUNKJTZZPHCP-UHFFFAOYSA-N -1 1 364.417 3.472 20 10 FGCDMM COCCOCc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC000890760574 739828290 /nfs/dbraw/zinc/82/82/90/739828290.db2.gz UENHZEYPWXIBRP-UHFFFAOYSA-N -1 1 367.804 3.278 20 10 FGCDMM CO[C@@H](C)c1nc(CNC(=O)NCc2cccc(Cl)c2[O-])cs1 ZINC000893519896 742165570 /nfs/dbraw/zinc/16/55/70/742165570.db2.gz ODWCSLVJHAMCIM-VIFPVBQESA-N -1 1 355.847 3.209 20 10 FGCDMM Cc1noc(C2CCN(Cc3cc(Br)cc(F)c3[O-])CC2)n1 ZINC000893962136 742219373 /nfs/dbraw/zinc/21/93/73/742219373.db2.gz IGOZYBKWPMDBTP-UHFFFAOYSA-N -1 1 370.222 3.365 20 10 FGCDMM CO[C@@H](CS(=O)(=O)Nc1cc(F)c([O-])cc1Cl)C1CCCC1 ZINC000901962728 743687297 /nfs/dbraw/zinc/68/72/97/743687297.db2.gz LNFDOPKWLHANEY-AWEZNQCLSA-N -1 1 351.827 3.132 20 10 FGCDMM O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590096 758102125 /nfs/dbraw/zinc/10/21/25/758102125.db2.gz IIOHYUNRNZFXPS-UHFFFAOYSA-N -1 1 355.173 3.373 20 10 FGCDMM O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc([O-])c(O)c1 ZINC000916590247 758102288 /nfs/dbraw/zinc/10/22/88/758102288.db2.gz RGXPWBNHIPHGLH-UHFFFAOYSA-N -1 1 356.252 3.036 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2ccc3ccccc3c2)C(=O)[N-]C1=S ZINC000920974275 758626847 /nfs/dbraw/zinc/62/68/47/758626847.db2.gz HAXTYRBIIPULRI-MHWRWJLKSA-N -1 1 353.447 3.035 20 10 FGCDMM O=C1NCCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000093669193 494910662 /nfs/dbraw/zinc/91/06/62/494910662.db2.gz XUUTUYQJIKXEQV-UHFFFAOYSA-N -1 1 358.269 3.079 20 10 FGCDMM CC[C@@H](C)c1nc([C@@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000277514018 496799445 /nfs/dbraw/zinc/79/94/45/496799445.db2.gz WSHBVLVQDRPRJR-RKDXNWHRSA-N -1 1 353.810 3.436 20 10 FGCDMM CC(C)(C)n1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278104913 497006844 /nfs/dbraw/zinc/00/68/44/497006844.db2.gz QTPLYQVPZIFXHG-UHFFFAOYSA-N -1 1 367.247 3.428 20 10 FGCDMM Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])n2)c1 ZINC000279620742 497488796 /nfs/dbraw/zinc/48/87/96/497488796.db2.gz YGTZTUNBFBLVSM-VXGBXAGGSA-N -1 1 368.397 3.201 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)OC3(CCOCC3)C2)c1[O-] ZINC000279642253 497495266 /nfs/dbraw/zinc/49/52/66/497495266.db2.gz AXIAXVIQZZZXFN-LBPRGKRZSA-N -1 1 353.846 3.018 20 10 FGCDMM Cc1cc(C(=O)CN2CC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000263580781 497802981 /nfs/dbraw/zinc/80/29/81/497802981.db2.gz WHZIHHCSOMRKSC-QGZVFWFLSA-N -1 1 354.450 3.300 20 10 FGCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000290588132 498610292 /nfs/dbraw/zinc/61/02/92/498610292.db2.gz WWHIQIRLMYHNCW-UHFFFAOYSA-N -1 1 366.395 3.026 20 10 FGCDMM O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 ZINC000033939023 600024306 /nfs/dbraw/zinc/02/43/06/600024306.db2.gz ZWNJQTKNTVWTLI-ATVHPVEESA-N -1 1 374.352 3.106 20 10 FGCDMM Cc1cc(C(=O)CN2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)n1-c1ccccc1 ZINC000738321317 600289545 /nfs/dbraw/zinc/28/95/45/600289545.db2.gz YJIXIIPOMCMPIJ-IBGZPJMESA-N -1 1 366.461 3.464 20 10 FGCDMM CC(=O)c1cc(F)cc(C[N@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)c1[O-] ZINC000825946959 601149283 /nfs/dbraw/zinc/14/92/83/601149283.db2.gz YULDVCOUKYLUSD-UHFFFAOYSA-N -1 1 365.788 3.474 20 10 FGCDMM CC(=O)c1cc(F)cc(C[N@@H+](CC(=O)[O-])Cc2ccc(Cl)cc2)c1[O-] ZINC000825946959 601149284 /nfs/dbraw/zinc/14/92/84/601149284.db2.gz YULDVCOUKYLUSD-UHFFFAOYSA-N -1 1 365.788 3.474 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)[O-])C2)c1[O-] ZINC000823628937 604245708 /nfs/dbraw/zinc/24/57/08/604245708.db2.gz ZSAPUYKJTDIYMQ-PWSUYJOCSA-N -1 1 354.834 3.116 20 10 FGCDMM CC(=O)Nc1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000833399411 604634622 /nfs/dbraw/zinc/63/46/22/604634622.db2.gz DAQVDIAKOHXAOE-UHFFFAOYSA-N -1 1 362.813 3.091 20 10 FGCDMM CC(=O)Nc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000833399411 604634623 /nfs/dbraw/zinc/63/46/23/604634623.db2.gz DAQVDIAKOHXAOE-UHFFFAOYSA-N -1 1 362.813 3.091 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3ccccc3c2)c1 ZINC000097272242 700461939 /nfs/dbraw/zinc/46/19/39/700461939.db2.gz NMSQVMZLLZSEST-UHFFFAOYSA-N -1 1 356.403 3.169 20 10 FGCDMM Cc1cc(Br)c([O-])c([C@H]2NC(=O)CN2Cc2ccccc2)c1 ZINC000781558214 724574219 /nfs/dbraw/zinc/57/42/19/724574219.db2.gz QVKXDYAQGOEUOC-KRWDZBQOSA-N -1 1 361.239 3.094 20 10 FGCDMM CCOC(=O)[C@@H]1CCCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781895442 724608781 /nfs/dbraw/zinc/60/87/81/724608781.db2.gz SGYSFZUOGPGKTP-AWEZNQCLSA-N -1 1 356.260 3.381 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000743059002 722563611 /nfs/dbraw/zinc/56/36/11/722563611.db2.gz QCUBZMKZMLKAJZ-HKMIMPICSA-N -1 1 355.868 3.387 20 10 FGCDMM COC(=O)CCC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000753388250 722897043 /nfs/dbraw/zinc/89/70/43/722897043.db2.gz KEOOABPRNDOGIK-UHFFFAOYSA-N -1 1 353.846 3.413 20 10 FGCDMM CN(CCCOc1ccc(Cl)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000790069134 723101800 /nfs/dbraw/zinc/10/18/00/723101800.db2.gz KSWGZUHDXPQOKA-UHFFFAOYSA-N -1 1 353.777 3.431 20 10 FGCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000792703264 723358735 /nfs/dbraw/zinc/35/87/35/723358735.db2.gz RYXQSAUYYXQCBO-UHFFFAOYSA-N -1 1 363.416 3.021 20 10 FGCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1OC ZINC000792702982 723358810 /nfs/dbraw/zinc/35/88/10/723358810.db2.gz MBHZKSOMNIHKQJ-UHFFFAOYSA-N -1 1 369.464 3.241 20 10 FGCDMM O=C(NCCc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000764757985 723443071 /nfs/dbraw/zinc/44/30/71/723443071.db2.gz PKDCBHKKRRDRSS-UHFFFAOYSA-N -1 1 367.218 3.336 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc2c(c1)OCO2 ZINC000765217299 723495225 /nfs/dbraw/zinc/49/52/25/723495225.db2.gz GDYKFHCQOGYZQW-UHFFFAOYSA-N -1 1 365.183 3.205 20 10 FGCDMM Cc1nc(Cl)ccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765728297 723535448 /nfs/dbraw/zinc/53/54/48/723535448.db2.gz GONYJZRSFFYGDC-UHFFFAOYSA-N -1 1 369.646 3.370 20 10 FGCDMM CC(=O)c1csc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765737222 723536712 /nfs/dbraw/zinc/53/67/12/723536712.db2.gz SBWSQVQWHPDRRM-UHFFFAOYSA-N -1 1 354.225 3.349 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1-n1cccn1 ZINC000765746075 723537394 /nfs/dbraw/zinc/53/73/94/723537394.db2.gz CXSLFPXYSRHTTK-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM CC(C)Oc1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765748575 723537593 /nfs/dbraw/zinc/53/75/93/723537593.db2.gz WVQZFCRGARFEER-UHFFFAOYSA-N -1 1 365.227 3.267 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccoc2)n[nH]1 ZINC000765751614 723538241 /nfs/dbraw/zinc/53/82/41/723538241.db2.gz HMJPDZOUYHTVOX-UHFFFAOYSA-N -1 1 362.183 3.068 20 10 FGCDMM O=C(Cc1cc(F)ccc1F)NCc1cccc(Br)c1[O-] ZINC000765764590 723539139 /nfs/dbraw/zinc/53/91/39/723539139.db2.gz MMEWNYFYLWSZBY-UHFFFAOYSA-N -1 1 356.166 3.292 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1nc(Cl)ccc1F ZINC000765766814 723539347 /nfs/dbraw/zinc/53/93/47/723539347.db2.gz CAHAARNFAIAIEA-UHFFFAOYSA-N -1 1 359.582 3.272 20 10 FGCDMM O=C(Cc1noc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765770295 723539633 /nfs/dbraw/zinc/53/96/33/723539633.db2.gz NSQQFRSETIGPMY-UHFFFAOYSA-N -1 1 361.195 3.155 20 10 FGCDMM COc1cc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)ccc1O ZINC000797819814 723866105 /nfs/dbraw/zinc/86/61/05/723866105.db2.gz UNDMFFPPGBGPOJ-UHFFFAOYSA-N -1 1 372.240 3.273 20 10 FGCDMM Cc1cc(NCc2cccc(Br)c2[O-])cc(OCCO)c1 ZINC000775031552 723954223 /nfs/dbraw/zinc/95/42/23/723954223.db2.gz DXDIVOKOEWVRFO-UHFFFAOYSA-N -1 1 352.228 3.446 20 10 FGCDMM Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc(C)c1Cl ZINC000799822576 724101502 /nfs/dbraw/zinc/10/15/02/724101502.db2.gz HZBLSAXKJVTBHA-UHFFFAOYSA-N -1 1 368.842 3.286 20 10 FGCDMM C[C@H](NCc1ncnn1C(C)(C)C)c1cc(Br)c(F)cc1[O-] ZINC000800499933 724203438 /nfs/dbraw/zinc/20/34/38/724203438.db2.gz LBZXTBZSQJDDJM-VIFPVBQESA-N -1 1 371.254 3.491 20 10 FGCDMM Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C(=O)[O-] ZINC000808114132 725184356 /nfs/dbraw/zinc/18/43/56/725184356.db2.gz RJYYJZRKHHYQAN-UHFFFAOYSA-N -1 1 373.789 3.301 20 10 FGCDMM CCOCc1nc([C@@H](C)NCc2cc(C)cc(Br)c2[O-])no1 ZINC000811516434 725372186 /nfs/dbraw/zinc/37/21/86/725372186.db2.gz UJCRBOYYLYDXBC-SNVBAGLBSA-N -1 1 370.247 3.233 20 10 FGCDMM O=S(=O)([N-]CCCSc1nccs1)c1sccc1Cl ZINC000830497977 729566319 /nfs/dbraw/zinc/56/63/19/729566319.db2.gz DDUXIMJAKXXGHZ-UHFFFAOYSA-N -1 1 354.931 3.319 20 10 FGCDMM CCCc1ncc(CNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000836636149 729963503 /nfs/dbraw/zinc/96/35/03/729963503.db2.gz OGLSPJOHBCMFNS-UHFFFAOYSA-N -1 1 368.231 3.095 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000852567201 731602220 /nfs/dbraw/zinc/60/22/20/731602220.db2.gz ZAGPMGQPLRRHRV-MDZLAQPJSA-N -1 1 353.260 3.390 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC1(C(F)(F)F)CCC1 ZINC000879379633 736986419 /nfs/dbraw/zinc/98/64/19/736986419.db2.gz WJDGHXGZZUJDAG-UHFFFAOYSA-N -1 1 367.165 3.439 20 10 FGCDMM Cc1nc(C2CCC2)sc1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000884812020 737704471 /nfs/dbraw/zinc/70/44/71/737704471.db2.gz KFBWZLUIFFNEEH-UHFFFAOYSA-N -1 1 361.419 3.099 20 10 FGCDMM C[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])NC(=O)C1CCCCC1 ZINC000890758318 739827877 /nfs/dbraw/zinc/82/78/77/739827877.db2.gz VJDNYHAPPQBMAZ-LBPRGKRZSA-N -1 1 352.862 3.137 20 10 FGCDMM CCOC(=O)C1CCC(CC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890761058 739828679 /nfs/dbraw/zinc/82/86/79/739828679.db2.gz JPDZYSPWXOUXBL-UHFFFAOYSA-N -1 1 353.846 3.421 20 10 FGCDMM COCCOc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000891921691 739951448 /nfs/dbraw/zinc/95/14/48/739951448.db2.gz XSHWWHPFDKIGAR-UHFFFAOYSA-N -1 1 364.829 3.070 20 10 FGCDMM COc1cccc2c1OCC[C@@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000892633320 740026242 /nfs/dbraw/zinc/02/62/42/740026242.db2.gz QOIPNGZIBLRCIO-AWEZNQCLSA-N -1 1 362.813 3.377 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC1C[C@H]2CC[C@@H](C1)S2 ZINC000897690733 742704025 /nfs/dbraw/zinc/70/40/25/742704025.db2.gz VDZFPMOWJLKAGT-YOGCLGLASA-N -1 1 371.300 3.381 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1ccnn1[C@@H]1CCCOC1 ZINC000898089384 742744239 /nfs/dbraw/zinc/74/42/39/742744239.db2.gz PYXGTKXQTABBDH-GFCCVEGCSA-N -1 1 370.222 3.454 20 10 FGCDMM CCn1nc(C2CC2)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000907758129 744235010 /nfs/dbraw/zinc/23/50/10/744235010.db2.gz NIVGPELDHCPFPQ-UHFFFAOYSA-N -1 1 364.243 3.179 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnn1C1CCC1 ZINC000935662639 761916919 /nfs/dbraw/zinc/91/69/19/761916919.db2.gz IRPAMIXWPUOOPK-UHFFFAOYSA-N -1 1 350.216 3.006 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@]12CCO[C@@H]1CCCC2 ZINC000935663516 761917410 /nfs/dbraw/zinc/91/74/10/761917410.db2.gz UZJJBHPJZVHBMX-CZUORRHYSA-N -1 1 354.244 3.120 20 10 FGCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCCN(c2ncccn2)CC1 ZINC000093056566 494818511 /nfs/dbraw/zinc/81/85/11/494818511.db2.gz PCXCFNINKLPYJC-UHFFFAOYSA-N -1 1 353.253 3.201 20 10 FGCDMM Cc1n[nH]c(C)c1[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000277389686 496757018 /nfs/dbraw/zinc/75/70/18/496757018.db2.gz AKPXXOIEHPSFFM-SECBINFHSA-N -1 1 366.259 3.305 20 10 FGCDMM CCC[C@@H]1C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277494927 496791110 /nfs/dbraw/zinc/79/11/10/496791110.db2.gz JRRPRXUEGCWSFY-WCQYABFASA-N -1 1 356.260 3.366 20 10 FGCDMM CC[C@H]1C[C@H](CC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277658226 496844186 /nfs/dbraw/zinc/84/41/86/496844186.db2.gz ZQFLRYCSUNDYIJ-YPMHNXCESA-N -1 1 356.260 3.366 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c(C)c(C)c1O ZINC000274860840 497184490 /nfs/dbraw/zinc/18/44/90/497184490.db2.gz ZPKLYOCADWNYLA-UHFFFAOYSA-N -1 1 374.462 3.010 20 10 FGCDMM CC(C)n1ccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000280474602 497765332 /nfs/dbraw/zinc/76/53/32/497765332.db2.gz JRGHTFMIFLOASS-UHFFFAOYSA-N -1 1 353.220 3.254 20 10 FGCDMM CC(=O)N1CCC([N@@H+](Cc2cncs2)Cc2cc(F)ccc2O)CC1 ZINC000292699796 498113696 /nfs/dbraw/zinc/11/36/96/498113696.db2.gz CGGYRKJDDUDAHE-UHFFFAOYSA-N -1 1 363.458 3.001 20 10 FGCDMM COc1cc(Cl)cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000377622687 499711994 /nfs/dbraw/zinc/71/19/94/499711994.db2.gz HDJOSAFJHJANTR-CQSZACIVSA-N -1 1 353.768 3.334 20 10 FGCDMM CCn1ncc(CN[C@@H](C)c2cc(Br)cc(Cl)c2[O-])n1 ZINC000527924047 504000562 /nfs/dbraw/zinc/00/05/62/504000562.db2.gz NUMLQIXBTBTENI-QMMMGPOBSA-N -1 1 359.655 3.270 20 10 FGCDMM CN(c1ccc(CNc2nccnc2-c2nnn[n-]2)cc1)C1CCCCC1 ZINC000736841938 598348287 /nfs/dbraw/zinc/34/82/87/598348287.db2.gz JRXIBFOPJZCAOY-UHFFFAOYSA-N -1 1 364.457 3.038 20 10 FGCDMM CN(c1ccc(CNc2nccnc2-c2nn[n-]n2)cc1)C1CCCCC1 ZINC000736841938 598348289 /nfs/dbraw/zinc/34/82/89/598348289.db2.gz JRXIBFOPJZCAOY-UHFFFAOYSA-N -1 1 364.457 3.038 20 10 FGCDMM O=C([O-])N1CCC([N@@H+](Cc2cccc(Br)c2[O-])C2CC2)CC1 ZINC000834085786 605495490 /nfs/dbraw/zinc/49/54/90/605495490.db2.gz VLLGNLWTSZPQDA-UHFFFAOYSA-N -1 1 369.259 3.262 20 10 FGCDMM CCCN(Cc1ccccc1O)c1snc(Cl)c1-c1nnn[n-]1 ZINC000825323559 608190436 /nfs/dbraw/zinc/19/04/36/608190436.db2.gz YFHRXFAUSFBFHA-UHFFFAOYSA-N -1 1 350.835 3.099 20 10 FGCDMM CCCN(Cc1ccccc1O)c1snc(Cl)c1-c1nn[n-]n1 ZINC000825323559 608190437 /nfs/dbraw/zinc/19/04/37/608190437.db2.gz YFHRXFAUSFBFHA-UHFFFAOYSA-N -1 1 350.835 3.099 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c(C)c1O ZINC000187062475 712732055 /nfs/dbraw/zinc/73/20/55/712732055.db2.gz HEIQIHYXMYNZJD-UHFFFAOYSA-N -1 1 350.396 3.335 20 10 FGCDMM CC(F)(F)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000187361952 712739807 /nfs/dbraw/zinc/73/98/07/712739807.db2.gz ARHCTCXMSDHUNX-UHFFFAOYSA-N -1 1 370.377 3.128 20 10 FGCDMM O=C(COC(=O)c1csc(-c2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC000782534227 724680392 /nfs/dbraw/zinc/68/03/92/724680392.db2.gz VDVWNLJTINNDBE-UHFFFAOYSA-N -1 1 355.371 3.261 20 10 FGCDMM Cc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1Br ZINC000784383247 724848568 /nfs/dbraw/zinc/84/85/68/724848568.db2.gz WMWVAHMSRGDFDF-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Br)cc(F)c1[O-] ZINC000756379764 722963600 /nfs/dbraw/zinc/96/36/00/722963600.db2.gz BMRJFMFNVASODH-OTYXRUKQSA-N -1 1 367.218 3.171 20 10 FGCDMM CN(Cc1ccc(Br)s1)C(=O)c1c([O-])c(O)ccc1F ZINC000789944678 723087264 /nfs/dbraw/zinc/08/72/64/723087264.db2.gz WBWJWSSRWYMTBE-UHFFFAOYSA-N -1 1 360.204 3.333 20 10 FGCDMM CNC(=O)CCOc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790981278 723202196 /nfs/dbraw/zinc/20/21/96/723202196.db2.gz MLJIKDYCCKTMQP-UHFFFAOYSA-N -1 1 352.793 3.312 20 10 FGCDMM C/C=C/C[C@@H](NCc1cc(C)cc(Br)c1[O-])C(=O)OCC ZINC000763359965 723336498 /nfs/dbraw/zinc/33/64/98/723336498.db2.gz ULHREXUQXVXJCV-YVARQFDVSA-N -1 1 356.260 3.451 20 10 FGCDMM CNC(=O)COc1ccc(NCc2c([O-])ccc(Cl)c2F)c(C)c1 ZINC000793398826 723434139 /nfs/dbraw/zinc/43/41/39/723434139.db2.gz RMDDNZQCWMAOBA-UHFFFAOYSA-N -1 1 352.793 3.230 20 10 FGCDMM O=C(NCc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000764762463 723443519 /nfs/dbraw/zinc/44/35/19/723443519.db2.gz RXXQYIIRNHQJDP-UHFFFAOYSA-N -1 1 353.191 3.293 20 10 FGCDMM NC(=O)c1cc(NCc2cccc(Br)c2[O-])nc2ccccc21 ZINC000764934840 723460766 /nfs/dbraw/zinc/46/07/66/723460766.db2.gz NTYAEINCNLUWKW-UHFFFAOYSA-N -1 1 372.222 3.414 20 10 FGCDMM CCc1noc(C)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765317419 723505378 /nfs/dbraw/zinc/50/53/78/723505378.db2.gz BWTRXUHKHMVPIJ-UHFFFAOYSA-N -1 1 354.204 3.335 20 10 FGCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])sc2nccn12 ZINC000765735570 723536577 /nfs/dbraw/zinc/53/65/77/723536577.db2.gz HJNADTRPPUZYJF-UHFFFAOYSA-N -1 1 366.240 3.102 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]c(=O)c2ccccc12 ZINC000765758570 723538784 /nfs/dbraw/zinc/53/87/84/723538784.db2.gz ZFBMWSOUALHTEZ-UHFFFAOYSA-N -1 1 373.206 3.339 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(F)cc2[nH]cnc21 ZINC000765765241 723539271 /nfs/dbraw/zinc/53/92/71/723539271.db2.gz QHQMDRQCKOJJKU-UHFFFAOYSA-N -1 1 364.174 3.100 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1[O-] ZINC000796606036 723646260 /nfs/dbraw/zinc/64/62/60/723646260.db2.gz ATONETWDKREANJ-KPZWWZAWSA-N -1 1 353.846 3.018 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(C3CC3)c2)c1 ZINC000799068751 723986252 /nfs/dbraw/zinc/98/62/52/723986252.db2.gz MOXATVGXSVEVRE-UHFFFAOYSA-N -1 1 364.398 3.033 20 10 FGCDMM COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000786441323 724979173 /nfs/dbraw/zinc/97/91/73/724979173.db2.gz NQUQHCMCFRHFLH-PJODQICGSA-N -1 1 351.830 3.022 20 10 FGCDMM NC(=O)c1ccc(NCc2cccc(Cl)c2[O-])c(OCC(F)F)c1 ZINC000811516479 725372222 /nfs/dbraw/zinc/37/22/22/725372222.db2.gz WDTYEUMKMZKBTD-UHFFFAOYSA-N -1 1 356.756 3.401 20 10 FGCDMM COCc1ccccc1S(=O)(=O)[N-]c1ccc(O)c(COC(C)C)c1 ZINC000811705567 725377329 /nfs/dbraw/zinc/37/73/29/725377329.db2.gz VQCOQLLETQGCOA-UHFFFAOYSA-N -1 1 365.451 3.264 20 10 FGCDMM CC1(c2nnc(C3CCOCC3)o2)CN(Cc2cccc(Cl)c2[O-])C1 ZINC000828035449 729438936 /nfs/dbraw/zinc/43/89/36/729438936.db2.gz HKMPFDWTCVTTHS-UHFFFAOYSA-N -1 1 363.845 3.096 20 10 FGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])nn1C(C)C ZINC000830530228 729569296 /nfs/dbraw/zinc/56/92/96/729569296.db2.gz XFXBBXMIXRZSLC-UHFFFAOYSA-N -1 1 352.232 3.171 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(C3CCCCCC3)no2)c1 ZINC000843317218 730607655 /nfs/dbraw/zinc/60/76/55/730607655.db2.gz HVKIUXWIFCGMFQ-UHFFFAOYSA-N -1 1 351.428 3.252 20 10 FGCDMM [O-]c1c(Br)cccc1CNc1nnc([C@H]2CCCO2)s1 ZINC000865296200 733175481 /nfs/dbraw/zinc/17/54/81/733175481.db2.gz SSKFLTOLVJIUIX-SNVBAGLBSA-N -1 1 356.245 3.470 20 10 FGCDMM O=C(NCC[C@@H]1CCSC1)NCc1cccc(Br)c1[O-] ZINC000868826134 733648654 /nfs/dbraw/zinc/64/86/54/733648654.db2.gz AORYJWHSIHYZDY-SNVBAGLBSA-N -1 1 359.289 3.097 20 10 FGCDMM O=C1N(c2ccccc2)[C@H](c2c([O-])cccc2Br)NC12CC2 ZINC000877859194 736736988 /nfs/dbraw/zinc/73/69/88/736736988.db2.gz NOHKPFIXMXZUQH-OAHLLOKOSA-N -1 1 359.223 3.322 20 10 FGCDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)ccc1O ZINC000882799052 737493201 /nfs/dbraw/zinc/49/32/01/737493201.db2.gz NPGAVGYIBMPFOI-UHFFFAOYSA-N -1 1 362.451 3.018 20 10 FGCDMM COc1cccc2c1OCC[C@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000892633321 740025929 /nfs/dbraw/zinc/02/59/29/740025929.db2.gz QOIPNGZIBLRCIO-CQSZACIVSA-N -1 1 362.813 3.377 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2ccccc2C(C)(C)C)C(=O)[N-]C1=S ZINC000920975305 758626900 /nfs/dbraw/zinc/62/69/00/758626900.db2.gz CWWOYIBSEJYSBU-RAXLEYEMSA-N -1 1 359.495 3.179 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN[C@@H](c1ncccn1)C1CC1 ZINC000922578289 758955158 /nfs/dbraw/zinc/95/51/58/758955158.db2.gz ZWFRHCIXFSYUPE-CYBMUJFWSA-N -1 1 352.207 3.325 20 10 FGCDMM COCCOCCOc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000922902150 759024830 /nfs/dbraw/zinc/02/48/30/759024830.db2.gz LUAGFWSCPVSMFY-UHFFFAOYSA-N -1 1 353.365 3.324 20 10 FGCDMM CCNC(=O)c1cc(NC(=O)NCc2cccc(Cl)c2[O-])c(C)s1 ZINC000932189654 761077274 /nfs/dbraw/zinc/07/72/74/761077274.db2.gz DIZPMZMDJGOLGJ-UHFFFAOYSA-N -1 1 367.858 3.487 20 10 FGCDMM CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])[C@H]2C1 ZINC000158371224 496687466 /nfs/dbraw/zinc/68/74/66/496687466.db2.gz RIPLBFQVSLPREV-HYVNUMGLSA-N -1 1 353.846 3.017 20 10 FGCDMM Oc1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000191331195 497782807 /nfs/dbraw/zinc/78/28/07/497782807.db2.gz UAEOEHCWQLBNNK-LLVKDONJSA-N -1 1 350.825 3.102 20 10 FGCDMM CO[C@@H]1CCC[C@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000281452613 498156245 /nfs/dbraw/zinc/15/62/45/498156245.db2.gz CPNUFJLCXLHJEB-WCQYABFASA-N -1 1 356.260 3.366 20 10 FGCDMM O=C([N-]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)C(F)(F)F ZINC000368858679 499340736 /nfs/dbraw/zinc/34/07/36/499340736.db2.gz BTBFXOXRDOIGCC-SECBINFHSA-N -1 1 356.266 3.090 20 10 FGCDMM COc1ccccc1[C@H](C[NH2+]Cc1c([O-])cccc1Cl)NC(=O)[O-] ZINC000739963651 602875033 /nfs/dbraw/zinc/87/50/33/602875033.db2.gz NYGREEJDNCQYNM-AWEZNQCLSA-N -1 1 350.802 3.153 20 10 FGCDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000833816565 605602542 /nfs/dbraw/zinc/60/25/42/605602542.db2.gz ZTZKQSXALWJADF-QWRGUYRKSA-N -1 1 357.248 3.023 20 10 FGCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](NC(=O)[O-])C[C@H]2C)c1 ZINC000833897403 605912778 /nfs/dbraw/zinc/91/27/78/605912778.db2.gz JYPCNBXGONBEOZ-ZYHUDNBSSA-N -1 1 357.248 3.084 20 10 FGCDMM C[C@@H]1Oc2ccc(NCc3cccc(Br)c3[O-])cc2NC1=O ZINC000098039194 700464781 /nfs/dbraw/zinc/46/47/81/700464781.db2.gz LOWBDVXGEJTYCT-VIFPVBQESA-N -1 1 363.211 3.486 20 10 FGCDMM CCCN(Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000161097498 705268694 /nfs/dbraw/zinc/26/86/94/705268694.db2.gz ZVJPIEBUBXFBRO-LBPRGKRZSA-N -1 1 352.283 3.098 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000385975680 713984160 /nfs/dbraw/zinc/98/41/60/713984160.db2.gz ATJJTEJCXLDYBT-UHFFFAOYSA-N -1 1 363.178 3.408 20 10 FGCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Br)s1 ZINC000784140567 724824651 /nfs/dbraw/zinc/82/46/51/724824651.db2.gz DDZOHYYAWDIVJI-UHFFFAOYSA-N -1 1 371.208 3.270 20 10 FGCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Br)c1 ZINC000784365504 724846879 /nfs/dbraw/zinc/84/68/79/724846879.db2.gz PXYDFVQCEMFXAY-UHFFFAOYSA-N -1 1 365.179 3.208 20 10 FGCDMM CCn1cnnc1CN[C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756420091 722964248 /nfs/dbraw/zinc/96/42/48/722964248.db2.gz HBOGPTQHQYYJHY-QMMMGPOBSA-N -1 1 359.655 3.270 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000758274683 722987403 /nfs/dbraw/zinc/98/74/03/722987403.db2.gz WYCWYPQZATUMNS-UHFFFAOYSA-N -1 1 365.798 3.134 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000790409035 723136660 /nfs/dbraw/zinc/13/66/60/723136660.db2.gz LDYJPLBSKDFDIG-UHFFFAOYSA-N -1 1 373.377 3.236 20 10 FGCDMM COc1ccccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764748247 723442244 /nfs/dbraw/zinc/44/22/44/723442244.db2.gz VGGLLJDZDANXQL-UHFFFAOYSA-N -1 1 365.227 3.163 20 10 FGCDMM O=C(NCc1ccc(F)cc1F)NCc1cccc(Br)c1[O-] ZINC000764768762 723444164 /nfs/dbraw/zinc/44/41/64/723444164.db2.gz SSVLMJKPMAWESS-UHFFFAOYSA-N -1 1 371.181 3.432 20 10 FGCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])c1ccncc1 ZINC000764788917 723445848 /nfs/dbraw/zinc/44/58/48/723445848.db2.gz CSQLUVNXIONPSC-LLVKDONJSA-N -1 1 364.243 3.153 20 10 FGCDMM Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765728494 723535696 /nfs/dbraw/zinc/53/56/96/723535696.db2.gz UEXAQNHEVURXMD-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM C[C@H](Oc1cccc(F)c1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765733248 723536262 /nfs/dbraw/zinc/53/62/62/723536262.db2.gz WDMUGPPELYMAMY-JTQLQIEISA-N -1 1 368.202 3.378 20 10 FGCDMM Cc1noc(C(F)F)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765750726 723537872 /nfs/dbraw/zinc/53/78/72/723537872.db2.gz KWBAOEFXQAXHRQ-UHFFFAOYSA-N -1 1 361.142 3.319 20 10 FGCDMM COc1ccc(C)cc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765753597 723538260 /nfs/dbraw/zinc/53/82/60/723538260.db2.gz OFKRAKBIIWPFTD-UHFFFAOYSA-N -1 1 364.239 3.331 20 10 FGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])cc([N+](=O)[O-])c1 ZINC000765763545 723539179 /nfs/dbraw/zinc/53/91/79/723539179.db2.gz CYPCHMPSDATLPW-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1C(C)C ZINC000765770954 723539704 /nfs/dbraw/zinc/53/97/04/723539704.db2.gz UBRUNOBANFMZNF-UHFFFAOYSA-N -1 1 352.232 3.171 20 10 FGCDMM O=C(COC(=O)c1ccc(Cl)c2ncccc12)c1ccc([O-])c(O)c1 ZINC000801443834 724303031 /nfs/dbraw/zinc/30/30/31/724303031.db2.gz GPFAZMQVVBYUKN-UHFFFAOYSA-N -1 1 357.749 3.339 20 10 FGCDMM CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809691981 725259148 /nfs/dbraw/zinc/25/91/48/725259148.db2.gz VJXBTFHBUSEZIA-ZDUSSCGKSA-N -1 1 371.821 3.054 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CCCC1(F)F ZINC000836605083 729962279 /nfs/dbraw/zinc/96/22/79/729962279.db2.gz ZLRCYPQSXKNPEW-JTQLQIEISA-N -1 1 363.202 3.389 20 10 FGCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCCO1 ZINC000847440578 731055702 /nfs/dbraw/zinc/05/57/02/731055702.db2.gz HYMFYEFCAQQCOR-UONOGXRCSA-N -1 1 371.275 3.302 20 10 FGCDMM COC[C@H](CC(C)(C)C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000848666619 731194106 /nfs/dbraw/zinc/19/41/06/731194106.db2.gz GBKSZRXTDRNEGK-LBPRGKRZSA-N -1 1 373.291 3.405 20 10 FGCDMM CO[C@@H](CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F)C1CCCC1 ZINC000849309805 731245909 /nfs/dbraw/zinc/24/59/09/731245909.db2.gz MTRRWWZKSSGOMB-AWEZNQCLSA-N -1 1 351.827 3.132 20 10 FGCDMM CC[C@@H](COCC1CC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000852461574 731586817 /nfs/dbraw/zinc/58/68/17/731586817.db2.gz BCMOEEBHOIHELD-ZDUSSCGKSA-N -1 1 371.275 3.159 20 10 FGCDMM CC[C@@H](NC(c1ccnn1C)c1ccnn1C)c1cccc(Cl)c1[O-] ZINC000858585707 732228961 /nfs/dbraw/zinc/22/89/61/732228961.db2.gz NABKZRCGUVXAHY-CQSZACIVSA-N -1 1 359.861 3.343 20 10 FGCDMM CCOC(=O)c1cc(NCc2cccc(Br)c2[O-])nc(C)n1 ZINC000882269870 737439374 /nfs/dbraw/zinc/43/93/74/737439374.db2.gz VSMXYZIFXBONPH-UHFFFAOYSA-N -1 1 366.215 3.042 20 10 FGCDMM COCCn1nc(C)c(NCc2cc(Br)cc(F)c2[O-])c1C ZINC000883083415 737520375 /nfs/dbraw/zinc/52/03/75/737520375.db2.gz LBNYZMNMUZQFCV-UHFFFAOYSA-N -1 1 372.238 3.366 20 10 FGCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000883887756 737612640 /nfs/dbraw/zinc/61/26/40/737612640.db2.gz STRFVQGFADJZEN-OCCSQVGLSA-N -1 1 371.275 3.159 20 10 FGCDMM C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759215 739827906 /nfs/dbraw/zinc/82/79/06/739827906.db2.gz GVOPMINLSKWCFU-WDEREUQCSA-N -1 1 356.850 3.211 20 10 FGCDMM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890759900 739828724 /nfs/dbraw/zinc/82/87/24/739828724.db2.gz VITJGNJLPOWGIL-UKRRQHHQSA-N -1 1 361.825 3.483 20 10 FGCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000900653807 743143881 /nfs/dbraw/zinc/14/38/81/743143881.db2.gz ONJPSZONQHUIEN-SNVBAGLBSA-N -1 1 362.426 3.202 20 10 FGCDMM CC(C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccccc1 ZINC000271328015 497322305 /nfs/dbraw/zinc/32/23/05/497322305.db2.gz VGQJJPATPHGYND-UHFFFAOYSA-N -1 1 362.451 3.067 20 10 FGCDMM CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(Cl)cc(C(C)=O)c3[O-])[C@@H]2C1 ZINC000246894200 497819241 /nfs/dbraw/zinc/81/92/41/497819241.db2.gz RIPLBFQVSLPREV-OIISXLGYSA-N -1 1 353.846 3.017 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CCC(F)(F)C1 ZINC000280743230 497880768 /nfs/dbraw/zinc/88/07/68/497880768.db2.gz PGQIWXBPWROAOM-VIFPVBQESA-N -1 1 363.202 3.389 20 10 FGCDMM CC[C@@H]([NH2+]Cc1cccnc1N1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287565254 498799062 /nfs/dbraw/zinc/79/90/62/498799062.db2.gz GKHTXANMUOKMPV-GOSISDBHSA-N -1 1 374.916 3.433 20 10 FGCDMM COc1ccc(OCCN(CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000738048801 600314702 /nfs/dbraw/zinc/31/47/02/600314702.db2.gz IMDZHUZSVGVXGJ-UHFFFAOYSA-N -1 1 365.813 3.020 20 10 FGCDMM C[N@H+](Cc1cc(Br)ccc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694150 604644872 /nfs/dbraw/zinc/64/48/72/604644872.db2.gz BKDMQNMYRKYFAL-OAHLLOKOSA-N -1 1 350.212 3.412 20 10 FGCDMM C[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694150 604644878 /nfs/dbraw/zinc/64/48/78/604644878.db2.gz BKDMQNMYRKYFAL-OAHLLOKOSA-N -1 1 350.212 3.412 20 10 FGCDMM CN(C)c1ccc(CN(c2ccc(Cl)c(-c3nnn[n-]3)n2)C2CC2)cc1 ZINC000821589604 606458857 /nfs/dbraw/zinc/45/88/57/606458857.db2.gz VOFYJXGJUOEHST-UHFFFAOYSA-N -1 1 369.860 3.150 20 10 FGCDMM CN(C)c1ccc(CN(c2ccc(Cl)c(-c3nn[n-]n3)n2)C2CC2)cc1 ZINC000821589604 606458859 /nfs/dbraw/zinc/45/88/59/606458859.db2.gz VOFYJXGJUOEHST-UHFFFAOYSA-N -1 1 369.860 3.150 20 10 FGCDMM Cn1c(SCC(=O)c2ccc([O-])c(O)c2)nnc1-c1ccc(F)cc1 ZINC000006913377 695560646 /nfs/dbraw/zinc/56/06/46/695560646.db2.gz ROHJCJWYKAPSPM-UHFFFAOYSA-N -1 1 359.382 3.007 20 10 FGCDMM CC(C)c1cccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000094056392 700457211 /nfs/dbraw/zinc/45/72/11/700457211.db2.gz BKOKAAOQWZAWFV-UHFFFAOYSA-N -1 1 362.451 3.164 20 10 FGCDMM CN(C)c1ccc(CN(C)C(=O)c2ccc(Br)cc2[O-])cc1 ZINC000109354737 700533782 /nfs/dbraw/zinc/53/37/82/700533782.db2.gz MVHXLIVQBGQPDH-UHFFFAOYSA-N -1 1 363.255 3.493 20 10 FGCDMM O=S(=O)([N-]CCCSc1nccs1)c1cc(Cl)ccc1F ZINC000790193953 723112609 /nfs/dbraw/zinc/11/26/09/723112609.db2.gz DORCNKQZQHPOKO-UHFFFAOYSA-N -1 1 366.892 3.396 20 10 FGCDMM Cc1cc(O[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Cl ZINC000783065301 724720295 /nfs/dbraw/zinc/72/02/95/724720295.db2.gz YRSYHNLAFVINDU-NSHDSACASA-N -1 1 364.781 3.253 20 10 FGCDMM CCOC(=O)[C@@H](CC1CC1)NCc1cc(C)cc(Br)c1[O-] ZINC000753567372 722904678 /nfs/dbraw/zinc/90/46/78/722904678.db2.gz DZASTNHFXWZNJR-CQSZACIVSA-N -1 1 356.260 3.285 20 10 FGCDMM O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1c([O-])c(O)ccc1F ZINC000789994281 723092395 /nfs/dbraw/zinc/09/23/95/723092395.db2.gz ALFNFJKWEKNBCV-SECBINFHSA-N -1 1 368.767 3.038 20 10 FGCDMM CC1CCC(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CC1 ZINC000761796131 723184430 /nfs/dbraw/zinc/18/44/30/723184430.db2.gz SNVJUGNEVJYEHZ-UHFFFAOYSA-N -1 1 351.428 3.107 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])NOCc1ccc(F)cc1 ZINC000764805884 723448664 /nfs/dbraw/zinc/44/86/64/723448664.db2.gz LEKAIHVYQFLGME-UHFFFAOYSA-N -1 1 369.190 3.225 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(OC(F)F)cn1 ZINC000765726308 723535417 /nfs/dbraw/zinc/53/54/17/723535417.db2.gz FUMTVHALMRXKPB-UHFFFAOYSA-N -1 1 373.153 3.081 20 10 FGCDMM Cc1[nH]c(=S)sc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765747966 723537607 /nfs/dbraw/zinc/53/76/07/723537607.db2.gz RYXWHWQLRKPCIG-UHFFFAOYSA-N -1 1 373.297 3.067 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2ccccc2n1 ZINC000765754274 723538417 /nfs/dbraw/zinc/53/84/17/723538417.db2.gz UKHICSFRWGOORW-UHFFFAOYSA-N -1 1 358.195 3.028 20 10 FGCDMM Cc1cc(C)n([C@H](C)CC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765753840 723538482 /nfs/dbraw/zinc/53/84/82/723538482.db2.gz QOHAQMJWSPKMEX-GFCCVEGCSA-N -1 1 366.259 3.236 20 10 FGCDMM O=C(/C=C/c1cncc(F)c1)NCc1cccc(Br)c1[O-] ZINC000765764109 723539229 /nfs/dbraw/zinc/53/92/29/723539229.db2.gz JFICUNQCFMQTNP-SNAWJCMRSA-N -1 1 351.175 3.018 20 10 FGCDMM CNS(=O)(=O)c1ccc(C)c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000796430143 723637198 /nfs/dbraw/zinc/63/71/98/723637198.db2.gz LXKSUJGBENCOAK-UHFFFAOYSA-N -1 1 358.822 3.013 20 10 FGCDMM CN1CCN(c2ccc(/C=C/c3ncc(/C=C\C(=O)[O-])s3)cc2)CC1 ZINC000771524334 723736987 /nfs/dbraw/zinc/73/69/87/723736987.db2.gz IHYUVFWOQHFFMT-ZSITZFGTSA-N -1 1 355.463 3.163 20 10 FGCDMM COc1c([O-])c(CN2CCc3c(F)cc(F)cc3C2)ccc1[N+](=O)[O-] ZINC000774907609 723941375 /nfs/dbraw/zinc/94/13/75/723941375.db2.gz DDKGYFCZAVBVJJ-UHFFFAOYSA-N -1 1 350.321 3.146 20 10 FGCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1ccc(F)c(F)c1F ZINC000808114341 725184352 /nfs/dbraw/zinc/18/43/52/725184352.db2.gz VZJVYVWEIJNXOH-UHFFFAOYSA-N -1 1 355.696 3.403 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000811519019 725372418 /nfs/dbraw/zinc/37/24/18/725372418.db2.gz RVRNUUHZSRPVAX-HOCLYGCPSA-N -1 1 352.818 3.487 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCCCC(=O)C1 ZINC000813539554 726891905 /nfs/dbraw/zinc/89/19/05/726891905.db2.gz RFHOZFVSXWYWHO-LLVKDONJSA-N -1 1 354.244 3.310 20 10 FGCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1N1C(=O)CNC1=O ZINC000816597000 727179151 /nfs/dbraw/zinc/17/91/51/727179151.db2.gz ZWKMJQWUTUSYOW-UHFFFAOYSA-N -1 1 363.776 3.161 20 10 FGCDMM CC1(C)CCC[C@](O)(C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000834475913 729806647 /nfs/dbraw/zinc/80/66/47/729806647.db2.gz HWCYWSFZNJHHAZ-MRXNPFEDSA-N -1 1 356.260 3.102 20 10 FGCDMM COC(=O)C1(N(Cc2cc(Cl)cc(C(C)=O)c2[O-])C2CC2)CCC1 ZINC000852178021 731552565 /nfs/dbraw/zinc/55/25/65/731552565.db2.gz WDTGNCSEBKJAGI-UHFFFAOYSA-N -1 1 351.830 3.308 20 10 FGCDMM CC1(C)[C@H](CNC(=O)NCc2cccc(Br)c2[O-])C1(F)F ZINC000852627139 731610512 /nfs/dbraw/zinc/61/05/12/731610512.db2.gz DTCUVJBTTBRZRP-JTQLQIEISA-N -1 1 363.202 3.245 20 10 FGCDMM CCn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C1CC1 ZINC000879775299 737044991 /nfs/dbraw/zinc/04/49/91/737044991.db2.gz WQQNNACCHWXPRH-UHFFFAOYSA-N -1 1 364.243 3.179 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCOC2(CCC2)C1 ZINC000897577123 742691305 /nfs/dbraw/zinc/69/13/05/742691305.db2.gz SYWMNZYPDUPFBD-NSHDSACASA-N -1 1 354.244 3.120 20 10 FGCDMM CC(F)(F)CCCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000915016955 757867682 /nfs/dbraw/zinc/86/76/82/757867682.db2.gz XZDOJKHHDBFUGV-UHFFFAOYSA-N -1 1 372.231 3.010 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2cccc3ccccc32)C(=O)[N-]C1=S ZINC000920974203 758627416 /nfs/dbraw/zinc/62/74/16/758627416.db2.gz CVBNFYVJOIBPLQ-XNTDXEJSSA-N -1 1 353.447 3.035 20 10 FGCDMM CCC[C@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277494930 496791242 /nfs/dbraw/zinc/79/12/42/496791242.db2.gz JRRPRXUEGCWSFY-YPMHNXCESA-N -1 1 356.260 3.366 20 10 FGCDMM COc1ccc(CS(C)(=O)=O)cc1NCc1cccc(Cl)c1[O-] ZINC000289572345 498198783 /nfs/dbraw/zinc/19/87/83/498198783.db2.gz JNOFDIBURAMWCJ-UHFFFAOYSA-N -1 1 355.843 3.211 20 10 FGCDMM CC(F)(F)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000297219655 498363504 /nfs/dbraw/zinc/36/35/04/498363504.db2.gz PNXWUJLVROCXIP-UHFFFAOYSA-N -1 1 351.191 3.389 20 10 FGCDMM C[C@@H](C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C1CC1)C(=O)[O-] ZINC000736585138 599852704 /nfs/dbraw/zinc/85/27/04/599852704.db2.gz UXFSFQWFLCEBAW-ZDUSSCGKSA-N -1 1 369.417 3.014 20 10 FGCDMM C[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739185183 603392598 /nfs/dbraw/zinc/39/25/98/603392598.db2.gz NYHRZRBPVZKBCQ-DOMZBBRYSA-N -1 1 358.438 3.495 20 10 FGCDMM C[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)CC[C@@H]1NC(=O)[O-] ZINC000739185183 603392602 /nfs/dbraw/zinc/39/26/02/603392602.db2.gz NYHRZRBPVZKBCQ-DOMZBBRYSA-N -1 1 358.438 3.495 20 10 FGCDMM CCOc1ccc(C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C(=O)[O-])cc1 ZINC000833664118 605520273 /nfs/dbraw/zinc/52/02/73/605520273.db2.gz KVPFQJWVVOBQQZ-HNNXBMFYSA-N -1 1 363.841 3.477 20 10 FGCDMM C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000833812803 605597541 /nfs/dbraw/zinc/59/75/41/605597541.db2.gz LROOWVJKENNVQW-GHMZBOCLSA-N -1 1 357.248 3.023 20 10 FGCDMM C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000833812803 605597543 /nfs/dbraw/zinc/59/75/43/605597543.db2.gz LROOWVJKENNVQW-GHMZBOCLSA-N -1 1 357.248 3.023 20 10 FGCDMM Cc1ccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1Cl ZINC000094138301 700457479 /nfs/dbraw/zinc/45/74/79/700457479.db2.gz QIFGUTBWPZBANN-UHFFFAOYSA-N -1 1 368.842 3.002 20 10 FGCDMM Cc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c(C)c1O ZINC000187058321 712731610 /nfs/dbraw/zinc/73/16/10/712731610.db2.gz CXZQUCMICWXPRS-UHFFFAOYSA-N -1 1 350.396 3.335 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN[C@@H](C)C(=O)OC2CCCC2)c1 ZINC000781631697 724580493 /nfs/dbraw/zinc/58/04/93/724580493.db2.gz BSRDARMIRJKSMB-NSHDSACASA-N -1 1 356.260 3.427 20 10 FGCDMM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000755987001 722959410 /nfs/dbraw/zinc/95/94/10/722959410.db2.gz WUBCDMGNODDKSZ-UHFFFAOYSA-N -1 1 367.398 3.462 20 10 FGCDMM C[C@@H](Nc1ccc(OCC(=O)N(C)C)cc1)c1cc(F)cc(F)c1[O-] ZINC000756803557 722970240 /nfs/dbraw/zinc/97/02/40/722970240.db2.gz GZYYNLNBDWRVMN-LLVKDONJSA-N -1 1 350.365 3.311 20 10 FGCDMM CNC(=O)CCOc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000757594648 722977338 /nfs/dbraw/zinc/97/73/38/722977338.db2.gz QVAQWRVVWHLXRI-NSHDSACASA-N -1 1 350.365 3.358 20 10 FGCDMM O=S(=O)([N-]c1ccc(O)c(-c2nc(C3CC3)no2)c1)c1cccs1 ZINC000758278562 722987509 /nfs/dbraw/zinc/98/75/09/722987509.db2.gz HOCHUNKQUCSCRF-UHFFFAOYSA-N -1 1 363.420 3.182 20 10 FGCDMM CCOC(=O)c1ccc(NCc2cccc(Br)c2[O-])cn1 ZINC000758447811 722989936 /nfs/dbraw/zinc/98/99/36/722989936.db2.gz IGJQBHMMQAFFBR-UHFFFAOYSA-N -1 1 351.200 3.339 20 10 FGCDMM C[C@H](Cc1ccc(Br)cc1)NC(=O)c1c([O-])c(O)ccc1F ZINC000789957295 723088232 /nfs/dbraw/zinc/08/82/32/723088232.db2.gz OFROGDVEBPBMAT-SECBINFHSA-N -1 1 368.202 3.360 20 10 FGCDMM CN(Cc1cc(Br)ccc1F)C(=O)c1c([O-])c(O)ccc1F ZINC000789966448 723089232 /nfs/dbraw/zinc/08/92/32/723089232.db2.gz PJJPTMDSUKJUEQ-UHFFFAOYSA-N -1 1 372.165 3.411 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000790416090 723137836 /nfs/dbraw/zinc/13/78/36/723137836.db2.gz PGYGWPHHXLRJJR-UHFFFAOYSA-N -1 1 350.396 3.280 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnc(C2CC2)nc1 ZINC000765276303 723501122 /nfs/dbraw/zinc/50/11/22/723501122.db2.gz GABOIXNVCXORGX-UHFFFAOYSA-N -1 1 363.215 3.144 20 10 FGCDMM CC(=O)Nc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765726001 723535423 /nfs/dbraw/zinc/53/54/23/723535423.db2.gz BQXAMMIQCGKSTI-UHFFFAOYSA-N -1 1 363.211 3.043 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-c2ccccn2)no1 ZINC000765729554 723536069 /nfs/dbraw/zinc/53/60/69/723536069.db2.gz OOFDOAWUFWKXMC-UHFFFAOYSA-N -1 1 374.194 3.135 20 10 FGCDMM CCCCn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC000765732806 723536340 /nfs/dbraw/zinc/53/63/40/723536340.db2.gz SVDINRRQMYABDD-UHFFFAOYSA-N -1 1 366.259 3.390 20 10 FGCDMM O=C(COc1ccc(F)cc1F)NCc1cccc(Br)c1[O-] ZINC000765754149 723538556 /nfs/dbraw/zinc/53/85/56/723538556.db2.gz RTBWNBSHCMJGLT-UHFFFAOYSA-N -1 1 372.165 3.128 20 10 FGCDMM C[C@H](Oc1ccccc1F)C(=O)NCc1cccc(Br)c1[O-] ZINC000765763534 723539014 /nfs/dbraw/zinc/53/90/14/723539014.db2.gz CVFBWOGTGIQECV-JTQLQIEISA-N -1 1 368.202 3.378 20 10 FGCDMM [O-]c1c(Br)cccc1CNC(=S)NC(C1CC1)C1CC1 ZINC000765976251 723549277 /nfs/dbraw/zinc/54/92/77/723549277.db2.gz LEAOEKORSJBWBV-UHFFFAOYSA-N -1 1 355.301 3.307 20 10 FGCDMM CCC[C@H](C)CS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766199786 723560765 /nfs/dbraw/zinc/56/07/65/723560765.db2.gz IIIOQPLDTZFZMM-JTQLQIEISA-N -1 1 350.278 3.010 20 10 FGCDMM CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776014387 724097239 /nfs/dbraw/zinc/09/72/39/724097239.db2.gz RINMFNCTZAWZHB-STQMWFEESA-N -1 1 362.253 3.242 20 10 FGCDMM CC(C)(C)c1cc(CS(=O)(=O)Nc2cc(Cl)c([O-])cc2F)no1 ZINC000808115294 725184738 /nfs/dbraw/zinc/18/47/38/725184738.db2.gz WLKLTZUXLUZGQJ-UHFFFAOYSA-N -1 1 362.810 3.412 20 10 FGCDMM CC(C)OCc1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)ccc1O ZINC000811706032 725377278 /nfs/dbraw/zinc/37/72/78/725377278.db2.gz UXKQQXUIGFWADE-UHFFFAOYSA-N -1 1 357.378 3.396 20 10 FGCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc([O-])c1[N+](=O)[O-] ZINC000813684867 726905191 /nfs/dbraw/zinc/90/51/91/726905191.db2.gz YHEKHANOIKPSHC-UHFFFAOYSA-N -1 1 357.149 3.243 20 10 FGCDMM CN(C)C(=O)COc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816524017 727171500 /nfs/dbraw/zinc/17/15/00/727171500.db2.gz MYYOWXKDBJTMRY-UHFFFAOYSA-N -1 1 352.793 3.264 20 10 FGCDMM CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000817356138 727242744 /nfs/dbraw/zinc/24/27/44/727242744.db2.gz GABBGIDHXCMQKX-GFCCVEGCSA-N -1 1 373.833 3.184 20 10 FGCDMM O=C([N-]C[C@H]1Cc2ccccc2N1Cc1ccccc1O)C(F)(F)F ZINC000817418081 727249612 /nfs/dbraw/zinc/24/96/12/727249612.db2.gz ZKWCCDDKCGEWJK-CQSZACIVSA-N -1 1 350.340 3.002 20 10 FGCDMM O=C(NCCOCC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000836672787 729964479 /nfs/dbraw/zinc/96/44/79/729964479.db2.gz SVLYAFJFNGMARP-UHFFFAOYSA-N -1 1 371.275 3.161 20 10 FGCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000840914411 730190591 /nfs/dbraw/zinc/19/05/91/730190591.db2.gz SSBQXHLJYFUCJO-UHFFFAOYSA-N -1 1 350.396 3.280 20 10 FGCDMM CCOc1ccc(C(=O)N(C)C)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883069713 737518222 /nfs/dbraw/zinc/51/82/22/737518222.db2.gz SNYPDTJUKRTWRZ-UHFFFAOYSA-N -1 1 350.365 3.383 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CNc1cnc2c(c1)COCC2 ZINC000883083971 737520073 /nfs/dbraw/zinc/52/00/73/737520073.db2.gz CTMQMPJLOBSABP-UHFFFAOYSA-N -1 1 353.191 3.374 20 10 FGCDMM CC(C)c1nnc(CNCc2cc(Cl)cc(Br)c2[O-])[nH]1 ZINC000883133170 737527719 /nfs/dbraw/zinc/52/77/19/737527719.db2.gz RJGPYIXDMLAWDC-UHFFFAOYSA-N -1 1 359.655 3.339 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000890758003 739827196 /nfs/dbraw/zinc/82/71/96/739827196.db2.gz PNBFBVLQRTYZIZ-HUUCEWRRSA-N -1 1 364.873 3.091 20 10 FGCDMM CC[C@@H](COCC(F)(F)F)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895098486 742374991 /nfs/dbraw/zinc/37/49/91/742374991.db2.gz SXOOFSHLXKZYOB-JTQLQIEISA-N -1 1 354.756 3.202 20 10 FGCDMM O=C(C[C@H]1CC[C@H](C2CC2)O1)NCc1cccc(Br)c1[O-] ZINC000935662709 761916599 /nfs/dbraw/zinc/91/65/99/761916599.db2.gz INJUUQNGAFWRKA-TZMCWYRMSA-N -1 1 354.244 3.119 20 10 FGCDMM C[C@@H](NC(=O)c1c([O-])cccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000920889713 758615929 /nfs/dbraw/zinc/61/59/29/758615929.db2.gz BCPPDVOISITHDU-CYBMUJFWSA-N -1 1 360.841 3.373 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1nnc([C@H]2CCCO2)s1 ZINC000932229136 761097731 /nfs/dbraw/zinc/09/77/31/761097731.db2.gz YVONZKRNOVQVDO-SNVBAGLBSA-N -1 1 354.819 3.070 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2csc3ccccc23)c1 ZINC000779024712 724381847 /nfs/dbraw/zinc/38/18/47/724381847.db2.gz JJLNTLCOOLRVHN-UHFFFAOYSA-N -1 1 362.432 3.231 20 10 FGCDMM C[C@H]1C[C@H](CCNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277443755 496774698 /nfs/dbraw/zinc/77/46/98/496774698.db2.gz MTMSIWYPYJQCFZ-NWDGAFQWSA-N -1 1 371.275 3.159 20 10 FGCDMM Cc1oc2c(ccc([O-])c2C[N@H+](C)[C@@H](C)C(=O)[O-])c(=O)c1-c1ccccc1 ZINC000819051416 597483874 /nfs/dbraw/zinc/48/38/74/597483874.db2.gz SMOLFJUSQWKTSV-LBPRGKRZSA-N -1 1 367.401 3.379 20 10 FGCDMM Cc1oc2c(ccc([O-])c2C[N@H+](C)[C@H](C)C(=O)[O-])c(=O)c1-c1ccccc1 ZINC000819051415 597484100 /nfs/dbraw/zinc/48/41/00/597484100.db2.gz SMOLFJUSQWKTSV-GFCCVEGCSA-N -1 1 367.401 3.379 20 10 FGCDMM O=C(CN1C(=O)SC(=Cc2cccs2)C1=O)c1ccc([O-])c(O)c1 ZINC000010537897 695591173 /nfs/dbraw/zinc/59/11/73/695591173.db2.gz ZVDQXAFUJCUGSH-AUWJEWJLSA-N -1 1 361.400 3.079 20 10 FGCDMM NC(=O)CSc1ccccc1NCc1cccc(Br)c1[O-] ZINC000048796347 695889679 /nfs/dbraw/zinc/88/96/79/695889679.db2.gz TXDUTLQVZZDOCJ-UHFFFAOYSA-N -1 1 367.268 3.344 20 10 FGCDMM O=C1[N-]C(=S)S/C1=C/c1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000215676180 713567652 /nfs/dbraw/zinc/56/76/52/713567652.db2.gz SJLPFHFXCDJYIG-RUDMXATFSA-N -1 1 357.247 3.063 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](C(F)(F)F)C2)c1 ZINC000781907777 724610840 /nfs/dbraw/zinc/61/08/40/724610840.db2.gz FHCZQUJIWSBEOK-NSHDSACASA-N -1 1 354.166 3.226 20 10 FGCDMM O=C(COC(=O)c1ccc(F)cc1Br)c1ccc([O-])c(O)c1 ZINC000782521472 724678724 /nfs/dbraw/zinc/67/87/24/724678724.db2.gz LSGMUHZCPWUYRO-UHFFFAOYSA-N -1 1 369.142 3.039 20 10 FGCDMM O=C(COC(=O)c1ccc(F)c(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000783241514 724741392 /nfs/dbraw/zinc/74/13/92/724741392.db2.gz WJNSBHBZJNVWDR-UHFFFAOYSA-N -1 1 358.243 3.295 20 10 FGCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1N1C(=O)CNC1=O ZINC000793350540 723427710 /nfs/dbraw/zinc/42/77/10/723427710.db2.gz AWQBMDFYCQBCMK-UHFFFAOYSA-N -1 1 363.776 3.161 20 10 FGCDMM CC(C)c1nc(NCc2cccc(Br)c2[O-])nc(N(C)C)n1 ZINC000764933453 723460985 /nfs/dbraw/zinc/46/09/85/723460985.db2.gz DBGKWOXJQFYULQ-UHFFFAOYSA-N -1 1 366.263 3.141 20 10 FGCDMM CCOc1ncccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765236027 723497612 /nfs/dbraw/zinc/49/76/12/723497612.db2.gz ZOOJZDUXPIVRLW-UHFFFAOYSA-N -1 1 366.215 3.270 20 10 FGCDMM Cc1cccc(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765729016 723535692 /nfs/dbraw/zinc/53/56/92/723535692.db2.gz XMJYPVQVMXVCCS-UHFFFAOYSA-N -1 1 350.212 3.158 20 10 FGCDMM CC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765729130 723535867 /nfs/dbraw/zinc/53/58/67/723535867.db2.gz YPYZGZBNTBREFW-UHFFFAOYSA-N -1 1 363.211 3.043 20 10 FGCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC000765751666 723538080 /nfs/dbraw/zinc/53/80/80/723538080.db2.gz IWGXWAKVYZXADH-UHFFFAOYSA-N -1 1 365.183 3.301 20 10 FGCDMM CCc1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765766471 723539366 /nfs/dbraw/zinc/53/93/66/723539366.db2.gz XJQRLNBEAHFQFB-UHFFFAOYSA-N -1 1 364.239 3.412 20 10 FGCDMM COc1cc(C)cc(C(=O)NCc2cccc(Br)c2[O-])c1O ZINC000765769297 723539696 /nfs/dbraw/zinc/53/96/96/723539696.db2.gz LHNXPYYMFKFUNS-UHFFFAOYSA-N -1 1 366.211 3.107 20 10 FGCDMM CNS(=O)(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1C ZINC000796443687 723637870 /nfs/dbraw/zinc/63/78/70/723637870.db2.gz LEYRIHQBVCVNLD-UHFFFAOYSA-N -1 1 358.822 3.013 20 10 FGCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000775145059 723963725 /nfs/dbraw/zinc/96/37/25/723963725.db2.gz HOQHEJWIZFAAPI-SDBXPKJASA-N -1 1 368.739 3.089 20 10 FGCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000775286168 723975815 /nfs/dbraw/zinc/97/58/15/723975815.db2.gz FKFLKBYQEFVQQO-FPLPWBNLSA-N -1 1 367.810 3.245 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)N(C)[C@@H]2c2ccccc2)c1[O-] ZINC000801949940 724349503 /nfs/dbraw/zinc/34/95/03/724349503.db2.gz DXYDQEDDWVSZEO-IBGZPJMESA-N -1 1 358.825 3.221 20 10 FGCDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115889 725184734 /nfs/dbraw/zinc/18/47/34/725184734.db2.gz XPFHSQRYIJXVMJ-UHFFFAOYSA-N -1 1 364.713 3.033 20 10 FGCDMM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115913 725184743 /nfs/dbraw/zinc/18/47/43/725184743.db2.gz YTBSYJRUSHLFJJ-UHFFFAOYSA-N -1 1 373.789 3.003 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2c1CC(=O)CC2 ZINC000811459786 725366757 /nfs/dbraw/zinc/36/67/57/725366757.db2.gz OBXDYSRORHZSOD-UHFFFAOYSA-N -1 1 374.234 3.143 20 10 FGCDMM Cc1cc(Br)c([O-])c(CN2CC(O)(c3ccc(F)cc3)C2)c1 ZINC000811503316 725370050 /nfs/dbraw/zinc/37/00/50/725370050.db2.gz FJZXFRZHZMFGJE-UHFFFAOYSA-N -1 1 366.230 3.306 20 10 FGCDMM COC(=O)COc1ccc(N(C)Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816568157 727176664 /nfs/dbraw/zinc/17/66/64/727176664.db2.gz YSFYRMYLEUGTGK-UHFFFAOYSA-N -1 1 353.777 3.373 20 10 FGCDMM CC[C@H](C)[C@H](CNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000836546463 729959851 /nfs/dbraw/zinc/95/98/51/729959851.db2.gz IBBVZWVKJIZRRF-GWCFXTLKSA-N -1 1 359.264 3.015 20 10 FGCDMM C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1cc(Br)cc(F)c1[O-] ZINC000850498926 731364749 /nfs/dbraw/zinc/36/47/49/731364749.db2.gz GCCBIILYOLAPFD-LWINAJNOSA-N -1 1 355.211 3.242 20 10 FGCDMM COC(C)(C)c1nsc(NCc2cccc(Br)c2[O-])n1 ZINC000865295680 733175676 /nfs/dbraw/zinc/17/56/76/733175676.db2.gz JXQGKFNYQWYLER-UHFFFAOYSA-N -1 1 358.261 3.500 20 10 FGCDMM C[C@H](NCc1ncc(Br)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866620482 733375169 /nfs/dbraw/zinc/37/51/69/733375169.db2.gz OGFRKSDMGUYBQV-ZETCQYMHSA-N -1 1 358.217 3.370 20 10 FGCDMM [O-]c1c(Br)cc(Cl)cc1CNCc1nnc(C2CC2)[nH]1 ZINC000883132967 737527726 /nfs/dbraw/zinc/52/77/26/737527726.db2.gz KRRMUHAKIJPONY-UHFFFAOYSA-N -1 1 357.639 3.093 20 10 FGCDMM CCS(=O)(=O)N(C)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883177150 737532431 /nfs/dbraw/zinc/53/24/31/737532431.db2.gz UQFMESXLNZTKMZ-UHFFFAOYSA-N -1 1 356.394 3.068 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(C(F)F)nc2n1CCCC2 ZINC000890762610 739828393 /nfs/dbraw/zinc/82/83/93/739828393.db2.gz HBGLCRIZJAVCCU-UHFFFAOYSA-N -1 1 355.772 3.446 20 10 FGCDMM C[C@H](NC(=O)CCC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000890763685 739829312 /nfs/dbraw/zinc/82/93/12/739829312.db2.gz ZYMDYBHIUMTXST-ZDUSSCGKSA-N -1 1 360.841 3.319 20 10 FGCDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)ccc1C ZINC000132271165 494849419 /nfs/dbraw/zinc/84/94/19/494849419.db2.gz XZHNOYIXHBSPOB-UHFFFAOYSA-N -1 1 373.478 3.354 20 10 FGCDMM COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(F)c(F)c1 ZINC000278502928 497136649 /nfs/dbraw/zinc/13/66/49/497136649.db2.gz OGLXGDPTBXVZRK-AWEZNQCLSA-N -1 1 368.336 3.065 20 10 FGCDMM COc1c([O-])c(C[N@@H+]2CCC[C@H]2Cn2ccnc2C(C)C)ccc1[N+](=O)[O-] ZINC000365826981 498656760 /nfs/dbraw/zinc/65/67/60/498656760.db2.gz RFBBHAPAGZBMDJ-HNNXBMFYSA-N -1 1 374.441 3.294 20 10 FGCDMM COCC(=O)N1CCc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc21 ZINC000294698900 498777059 /nfs/dbraw/zinc/77/70/59/498777059.db2.gz NYFUUADHTQLZPV-UHFFFAOYSA-N -1 1 364.804 3.332 20 10 FGCDMM CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H](C)NC(=O)[O-])CC2)c1[O-] ZINC000823628219 603962833 /nfs/dbraw/zinc/96/28/33/603962833.db2.gz NIDKFSDLTYNBAZ-JTQLQIEISA-N -1 1 354.834 3.116 20 10 FGCDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccc(Br)c1[O-] ZINC000834161948 605610044 /nfs/dbraw/zinc/61/00/44/605610044.db2.gz JAPXKCCVDLDQPB-YHWZYXNKSA-N -1 1 369.259 3.308 20 10 FGCDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000111995384 700553328 /nfs/dbraw/zinc/55/33/28/700553328.db2.gz MVESXSHZEXWVGD-UHFFFAOYSA-N -1 1 361.423 3.304 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCCN(CC(F)(F)F)CC2)c1[O-] ZINC000177209461 705612570 /nfs/dbraw/zinc/61/25/70/705612570.db2.gz LIEAWFRUNVXFOZ-UHFFFAOYSA-N -1 1 364.795 3.318 20 10 FGCDMM Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cs2)o1 ZINC000782852296 724704195 /nfs/dbraw/zinc/70/41/95/724704195.db2.gz NAXRVOWJCRYEBP-UHFFFAOYSA-N -1 1 359.359 3.162 20 10 FGCDMM O=C(COC(=O)c1[nH]c2ccc(F)cc2c1Cl)c1ccc([O-])c(O)c1 ZINC000783043754 724718020 /nfs/dbraw/zinc/71/80/20/724718020.db2.gz CTONHCVDTRYKRH-UHFFFAOYSA-N -1 1 363.728 3.411 20 10 FGCDMM COc1ccc(S[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783075813 724721635 /nfs/dbraw/zinc/72/16/35/724721635.db2.gz LNRMRRAJWOMWGU-NSHDSACASA-N -1 1 362.403 3.013 20 10 FGCDMM CC[C@H](CNC(=O)c1c([O-])c(O)ccc1F)Oc1ccccc1Cl ZINC000789992853 723092430 /nfs/dbraw/zinc/09/24/30/723092430.db2.gz PRNZQNURPFTPNB-SNVBAGLBSA-N -1 1 353.777 3.478 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000790409932 723136739 /nfs/dbraw/zinc/13/67/39/723136739.db2.gz XEXVHOGWZYGBMG-UHFFFAOYSA-N -1 1 351.424 3.217 20 10 FGCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000790411895 723137002 /nfs/dbraw/zinc/13/70/02/723137002.db2.gz UDUAZNXFGVROTA-UHFFFAOYSA-N -1 1 351.424 3.217 20 10 FGCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CCC3CCCCC3)no2)c1 ZINC000761754163 723181730 /nfs/dbraw/zinc/18/17/30/723181730.db2.gz DJHYBOZAHIYVOF-UHFFFAOYSA-N -1 1 365.455 3.327 20 10 FGCDMM CC(C)COCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764760581 723443106 /nfs/dbraw/zinc/44/31/06/723443106.db2.gz IZKJWCWOTPUYDA-UHFFFAOYSA-N -1 1 359.264 3.017 20 10 FGCDMM CCCn1nccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765233262 723497588 /nfs/dbraw/zinc/49/75/88/723497588.db2.gz GDFJNHJULDENQC-UHFFFAOYSA-N -1 1 353.220 3.083 20 10 FGCDMM C[C@](O)(CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765745969 723537284 /nfs/dbraw/zinc/53/72/84/723537284.db2.gz BEBYBSZJAHTUBX-KRWDZBQOSA-N -1 1 364.239 3.069 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2ccccc2c(=O)[nH]1 ZINC000765758229 723538751 /nfs/dbraw/zinc/53/87/51/723538751.db2.gz UIQGYHGMKPLUMT-UHFFFAOYSA-N -1 1 373.206 3.339 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(=O)c2ccccc2o1 ZINC000765765264 723539220 /nfs/dbraw/zinc/53/92/20/723539220.db2.gz QRGMBKCCQBGHKG-UHFFFAOYSA-N -1 1 374.190 3.191 20 10 FGCDMM CCOc1nc(C)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765766826 723539355 /nfs/dbraw/zinc/53/93/55/723539355.db2.gz CGAHXKNKAYBDBZ-UHFFFAOYSA-N -1 1 365.227 3.187 20 10 FGCDMM CC(=O)c1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765771202 723539688 /nfs/dbraw/zinc/53/96/88/723539688.db2.gz VGGOSHHXJNNAJW-UHFFFAOYSA-N -1 1 362.223 3.216 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-n2cccc2)ccn1 ZINC000807416432 725160957 /nfs/dbraw/zinc/16/09/57/725160957.db2.gz FYGIGHVAAOERPU-UHFFFAOYSA-N -1 1 372.222 3.270 20 10 FGCDMM CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C(=O)[O-] ZINC000808113482 725184126 /nfs/dbraw/zinc/18/41/26/725184126.db2.gz AGOPDNGSPIDWBQ-UHFFFAOYSA-N -1 1 373.789 3.246 20 10 FGCDMM O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)C(F)(F)F ZINC000811514889 725372086 /nfs/dbraw/zinc/37/20/86/725372086.db2.gz RLPYGTOFNPABTF-SECBINFHSA-N -1 1 368.758 3.075 20 10 FGCDMM Cn1ncc2c1CC(C)(C)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000828019757 729438627 /nfs/dbraw/zinc/43/86/27/729438627.db2.gz YKGHPUIFKSHIRK-UHFFFAOYSA-N -1 1 364.833 3.272 20 10 FGCDMM CCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1OCC ZINC000830185218 729541817 /nfs/dbraw/zinc/54/18/17/729541817.db2.gz WZLWNDBJUPLYNK-UHFFFAOYSA-N -1 1 373.377 3.269 20 10 FGCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cccc(F)n3)CC2)c1[O-] ZINC000831478101 729645018 /nfs/dbraw/zinc/64/50/18/729645018.db2.gz XDEBNRZPMXRHLU-UHFFFAOYSA-N -1 1 363.820 3.105 20 10 FGCDMM CO[C@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCCC1 ZINC000834475845 729806669 /nfs/dbraw/zinc/80/66/69/729806669.db2.gz FZXLQMDHMVUYLJ-HNNXBMFYSA-N -1 1 356.260 3.366 20 10 FGCDMM CC[C@H](C)[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])OC ZINC000836546464 729959848 /nfs/dbraw/zinc/95/98/48/729959848.db2.gz IBBVZWVKJIZRRF-GXFFZTMASA-N -1 1 359.264 3.015 20 10 FGCDMM Cc1nn(C(C)C)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000847931060 731111685 /nfs/dbraw/zinc/11/16/85/731111685.db2.gz QRXFQFILGXCQSE-UHFFFAOYSA-N -1 1 352.232 3.171 20 10 FGCDMM O=C(NCc1cccc(Br)c1[O-])c1c(Cl)n[nH]c1C1CC1 ZINC000867831310 733521917 /nfs/dbraw/zinc/52/19/17/733521917.db2.gz UOFWDZDZTIIQHZ-UHFFFAOYSA-N -1 1 370.634 3.339 20 10 FGCDMM O=C1N(c2ccccc2)[C@@H](c2ccc(Br)cc2[O-])NC12CC2 ZINC000877859886 736737000 /nfs/dbraw/zinc/73/70/00/736737000.db2.gz UVPQLWMWUUQECT-HNNXBMFYSA-N -1 1 359.223 3.322 20 10 FGCDMM COCC[C@@H](Cc1ccco1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894135450 742243975 /nfs/dbraw/zinc/24/39/75/742243975.db2.gz ZLTNXTPFWDLZTD-ZDUSSCGKSA-N -1 1 352.818 3.086 20 10 FGCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000890759247 739828117 /nfs/dbraw/zinc/82/81/17/739828117.db2.gz ILEGSSANBSXJLM-BCLQGDPASA-N -1 1 367.873 3.416 20 10 FGCDMM COc1ccc(CCNC(=O)NCc2cccc(Cl)c2[O-])cc1OC ZINC000891459897 739904750 /nfs/dbraw/zinc/90/47/50/739904750.db2.gz GHFLTKKVEBOCOK-UHFFFAOYSA-N -1 1 364.829 3.105 20 10 FGCDMM COc1cccc(CCNC(=O)NCc2cccc(Cl)c2[O-])c1OC ZINC000892115183 739965730 /nfs/dbraw/zinc/96/57/30/739965730.db2.gz VRZVIURHZXKKKA-UHFFFAOYSA-N -1 1 364.829 3.105 20 10 FGCDMM [O-]c1c(F)cc(Br)cc1CN1CCS[C@@H]2COCC[C@@H]21 ZINC000894083490 742236336 /nfs/dbraw/zinc/23/63/36/742236336.db2.gz DZDDWDCQGAJJCW-QWHCGFSZSA-N -1 1 362.264 3.000 20 10 FGCDMM COCCO[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894530797 742295896 /nfs/dbraw/zinc/29/58/96/742295896.db2.gz MTNZHXJRLYYCNJ-LBPRGKRZSA-N -1 1 364.667 3.045 20 10 FGCDMM O=C(COc1c(Cl)cccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594149 758104454 /nfs/dbraw/zinc/10/44/54/758104454.db2.gz VEJDUGLETGTHBR-UHFFFAOYSA-N -1 1 371.172 3.210 20 10 FGCDMM CC(C)CN1C(=O)C(=CNc2ccc3ccccc3c2)C(=O)[N-]C1=S ZINC000920974276 758626725 /nfs/dbraw/zinc/62/67/25/758626725.db2.gz HAXTYRBIIPULRI-YBEGLDIGSA-N -1 1 353.447 3.035 20 10 FGCDMM CCCn1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000277387470 496756626 /nfs/dbraw/zinc/75/66/26/496756626.db2.gz AGEKLKJJFRAHDT-UHFFFAOYSA-N -1 1 366.259 3.308 20 10 FGCDMM C[C@@H]1C[C@@H](CCNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277443753 496774815 /nfs/dbraw/zinc/77/48/15/496774815.db2.gz MTMSIWYPYJQCFZ-NEPJUHHUSA-N -1 1 371.275 3.159 20 10 FGCDMM CC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1nnc2n1CCCCC2 ZINC000273563004 496841538 /nfs/dbraw/zinc/84/15/38/496841538.db2.gz IRIQJXRBJZKQKP-SWLSCSKDSA-N -1 1 359.430 3.420 20 10 FGCDMM COc1c([O-])c(CN2CCSC[C@H]2c2nccs2)ccc1[N+](=O)[O-] ZINC000278297985 497066012 /nfs/dbraw/zinc/06/60/12/497066012.db2.gz CPWOQBPGCSDOQE-LBPRGKRZSA-N -1 1 367.452 3.056 20 10 FGCDMM COCCC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277302427 497797929 /nfs/dbraw/zinc/79/79/29/497797929.db2.gz CDLNQICWYDJMFT-UHFFFAOYSA-N -1 1 359.264 3.017 20 10 FGCDMM COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cccc(Cl)c1 ZINC000290275014 498491598 /nfs/dbraw/zinc/49/15/98/498491598.db2.gz YINUYLTZRKIGTO-CQSZACIVSA-N -1 1 366.801 3.440 20 10 FGCDMM O=C(NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)c1ccc[nH]1 ZINC000371421094 499324251 /nfs/dbraw/zinc/32/42/51/499324251.db2.gz MLKIJHCNLLFTJW-UHFFFAOYSA-N -1 1 368.264 3.422 20 10 FGCDMM COCCn1cc2c(n1)[C@@H](NCc1cc(Cl)cc(OC)c1O)CCC2 ZINC000376614347 499623249 /nfs/dbraw/zinc/62/32/49/499623249.db2.gz GLLMNLXFGWNHFX-HNNXBMFYSA-N -1 1 365.861 3.064 20 10 FGCDMM C[C@@H]1CN(c2ccc(CNCc3ccoc3C(=O)[O-])cc2F)C[C@@H](C)O1 ZINC000833633997 605080565 /nfs/dbraw/zinc/08/05/65/605080565.db2.gz DLJDIWBDCBMGSQ-CHWSQXEVSA-N -1 1 362.401 3.020 20 10 FGCDMM