smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001175328796 1121285399 /nfs/dbraw/zinc/28/53/99/1121285399.db2.gz CEUGNNGIIHGZSU-UHFFFAOYSA-N -2 1 281.670 3.627 20 0 CHADML O=C([O-])c1cncc(Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001175841449 1121470534 /nfs/dbraw/zinc/47/05/34/1121470534.db2.gz GGVJWWMIQKBQNU-UHFFFAOYSA-N -2 1 299.113 3.536 20 0 CHADML [O-]c1cc(F)c(Nc2cccc([S-])c2)cc1F ZINC001210948647 1134336692 /nfs/dbraw/zinc/33/66/92/1134336692.db2.gz YQBMYADMGRJKIR-UHFFFAOYSA-N -2 1 253.273 3.703 20 0 CHADML [O-]c1cc(Nc2ccccc2[S-])c(F)c(F)c1F ZINC001249962133 1121968427 /nfs/dbraw/zinc/96/84/27/1121968427.db2.gz HHFZSKSLKAQZCD-UHFFFAOYSA-N -2 1 271.263 3.842 20 0 CHADML Cc1cc(Nc2cc([O-])c(Cl)cc2F)ccc1C(=O)[O-] ZINC001211657120 1120570635 /nfs/dbraw/zinc/57/06/35/1120570635.db2.gz AYJJOHUSCSWNRX-UHFFFAOYSA-N -2 1 295.697 3.935 20 0 CHADML Cc1cc(Nc2c([O-])cc(F)cc2F)cc(C)c1C(=O)[O-] ZINC001216311951 1134846999 /nfs/dbraw/zinc/84/69/99/1134846999.db2.gz WIKGMWHGZGPYOU-UHFFFAOYSA-N -2 1 293.269 3.729 20 0 CHADML O=C([O-])/C=C/c1cccc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001174501118 1132903556 /nfs/dbraw/zinc/90/35/56/1132903556.db2.gz ZRYMNXOAKSSVMF-SNAWJCMRSA-N -2 1 291.253 3.512 20 0 CHADML Cc1cc(Nc2cc([O-])c(Cl)cc2F)cc(C(=O)[O-])c1 ZINC001211545441 1119083335 /nfs/dbraw/zinc/08/33/35/1119083335.db2.gz ZSAVQKFIGIERGJ-UHFFFAOYSA-N -2 1 295.697 3.935 20 0 CHADML Cc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1C(=O)[O-] ZINC001211604281 1119443362 /nfs/dbraw/zinc/44/33/62/1119443362.db2.gz YJSFNYYOJNVUKB-UHFFFAOYSA-N -2 1 295.697 3.935 20 0 CHADML C[C@@H](Oc1nc2c(cc(Cl)nc2Cl)[n-]1)C1=CC=C[CH]1 ZINC001231047800 1132248210 /nfs/dbraw/zinc/24/82/10/1132248210.db2.gz CRRAATKFRWLMGE-SSDOTTSWSA-N -2 1 295.149 3.732 20 0 CHADML C[C@@H](Oc1nc2cc(Cl)nc(Cl)c2[n-]1)C1=CC=C[CH]1 ZINC001231047800 1132248214 /nfs/dbraw/zinc/24/82/14/1132248214.db2.gz CRRAATKFRWLMGE-SSDOTTSWSA-N -2 1 295.149 3.732 20 0 CHADML CCCC(=O)c1ccc([O-])cc1O[C@@H](C)C1=CC=C[CH]1 ZINC001233649850 1132657621 /nfs/dbraw/zinc/65/76/21/1132657621.db2.gz DCKDXLFQFIJUCV-LBPRGKRZSA-N -2 1 271.336 3.843 20 0 CHADML O=C([O-])c1ccc(Nc2cc(F)c([O-])c(Cl)c2)cc1 ZINC001214490358 1134544808 /nfs/dbraw/zinc/54/48/08/1134544808.db2.gz ULHZPMJZBANIHO-UHFFFAOYSA-N -2 1 281.670 3.627 20 0 CHADML CC(C)(C)c1nc([N-]c2ccc(Cl)c([O-])c2F)no1 ZINC001214791115 1134573800 /nfs/dbraw/zinc/57/38/00/1134573800.db2.gz LYAKVMCLYOHSKZ-UHFFFAOYSA-N -2 1 285.706 3.609 20 0 CHADML O=C([O-])c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC001210175537 1118176451 /nfs/dbraw/zinc/17/64/51/1118176451.db2.gz IMDUKFANYBGHSP-UHFFFAOYSA-N -2 1 299.113 3.536 20 0 CHADML O=C([O-])/C=C/c1ccc(Nc2c([O-])cc(F)cc2F)cc1 ZINC001176592905 1121650113 /nfs/dbraw/zinc/65/01/13/1121650113.db2.gz PHSQNBJYYVUTGL-ZZXKWVIFSA-N -2 1 291.253 3.512 20 0 CHADML [O-]c1c(Cl)ccc(Nc2ccnc(Cl)c2[O-])c1F ZINC001214797618 1132553179 /nfs/dbraw/zinc/55/31/79/1132553179.db2.gz BMGYQJMXYFCOSY-UHFFFAOYSA-N -2 1 289.093 3.682 20 0 CHADML O=C([O-])c1cc(Cl)cc(Nc2c([O-])cc(F)cc2F)c1 ZINC001211964856 1125530169 /nfs/dbraw/zinc/53/01/69/1125530169.db2.gz CQBPDBNPFKAXHJ-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML [O-]c1cc(F)c(-c2cc([S-])cc([S-])c2)cc1F ZINC001211360365 1134412350 /nfs/dbraw/zinc/41/23/50/1134412350.db2.gz RWEKETZHHIBRKI-UHFFFAOYSA-N -3 1 270.325 3.915 20 0 CHADML O=C([O-])c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001176712393 1121690222 /nfs/dbraw/zinc/69/02/22/1121690222.db2.gz VZLFXWQPYPATET-UHFFFAOYSA-N -2 1 281.670 3.627 20 0 CHADML CCCC(=O)c1ccc([O-])cc1O[C@H](C)C1=CC=C[CH]1 ZINC001233649849 1132655652 /nfs/dbraw/zinc/65/56/52/1132655652.db2.gz DCKDXLFQFIJUCV-GFCCVEGCSA-N -2 1 271.336 3.843 20 0 CHADML O=C([O-])/C=C/c1cccc(Nc2c([O-])cc(F)cc2F)c1 ZINC001174496327 1132861964 /nfs/dbraw/zinc/86/19/64/1132861964.db2.gz HBYHBQWGVODFAN-SNAWJCMRSA-N -2 1 291.253 3.512 20 0 CHADML O=C([O-])/C=C/c1cccc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001174497321 1132865056 /nfs/dbraw/zinc/86/50/56/1132865056.db2.gz MRWNWFYIUBJQFU-QPJJXVBHSA-N -2 1 291.253 3.512 20 0 CHADML O=C([O-])c1ccc(Nc2cc(F)c([O-])cc2F)cc1Cl ZINC001175321084 1121281536 /nfs/dbraw/zinc/28/15/36/1121281536.db2.gz ZVDJKXLKIYCZNK-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML [O-]c1c(F)cc(F)c(Nc2ccc([S-])cc2)c1F ZINC001176673709 1121672926 /nfs/dbraw/zinc/67/29/26/1121672926.db2.gz XHHJDYGWHLLZLR-UHFFFAOYSA-N -2 1 271.263 3.842 20 0 CHADML O=C([O-])c1ccc2nc(/C=C/c3ccc([O-])c(F)c3)oc2c1 ZINC000436787091 1122583311 /nfs/dbraw/zinc/58/33/11/1122583311.db2.gz ZYHBRHHYBVHKJS-QHHAFSJGSA-N -2 1 299.257 3.541 20 0 CHADML Cc1c(F)cc(C(=O)[O-])cc1Nc1cc([O-])c(F)c(F)c1 ZINC001210006665 1134120605 /nfs/dbraw/zinc/12/06/05/1134120605.db2.gz BJNYWXOBYSQDMS-UHFFFAOYSA-N -2 1 297.232 3.560 20 0 CHADML O=C([O-])c1cc(F)cc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001209890186 1134095932 /nfs/dbraw/zinc/09/59/32/1134095932.db2.gz ZVQYHCGSAORDQZ-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML O=C([O-])Cc1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001174953957 1121109094 /nfs/dbraw/zinc/10/90/94/1121109094.db2.gz VXPHNQIFBOSHRR-UHFFFAOYSA-N -2 1 295.697 3.555 20 0 CHADML Cc1c(F)cc(C(=O)[O-])cc1Nc1cc(F)c([O-])cc1F ZINC001210007938 1134121661 /nfs/dbraw/zinc/12/16/61/1134121661.db2.gz SQVOGWMFFCYSRY-UHFFFAOYSA-N -2 1 297.232 3.560 20 0 CHADML [O-]c1cc(F)c(-c2ccc([S-])cc2F)cc1F ZINC001211353438 1118507105 /nfs/dbraw/zinc/50/71/05/1118507105.db2.gz WHECPXICUYEMCK-UHFFFAOYSA-N -2 1 256.248 3.765 20 0 CHADML Cc1ccc(C(=O)[O-])cc1Nc1cc([O-])c(Cl)cc1F ZINC001174982708 1121141433 /nfs/dbraw/zinc/14/14/33/1121141433.db2.gz UQFFZSZJJKPIOP-UHFFFAOYSA-N -2 1 295.697 3.935 20 0 CHADML O=C([O-])c1cc(Nc2cc([O-])c(Cl)cc2F)cs1 ZINC001176439078 1121622850 /nfs/dbraw/zinc/62/28/50/1121622850.db2.gz JAJAPRBHWHXVJT-UHFFFAOYSA-N -2 1 287.699 3.688 20 0 CHADML O=C([O-])c1ccc(Nc2cc([O-])c(Cl)cc2F)c(F)c1 ZINC001203292856 1133311537 /nfs/dbraw/zinc/31/15/37/1133311537.db2.gz MHVZLQJNWUQOKT-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML COc1cc(Nc2cc(F)c([O-])cc2F)ccc1[S-] ZINC001215575986 1118529718 /nfs/dbraw/zinc/52/97/18/1118529718.db2.gz IRIFRSXKUDERPZ-UHFFFAOYSA-N -2 1 283.299 3.711 20 0 CHADML Cc1c(F)cc(C(=O)[O-])cc1Nc1c([O-])cc(F)cc1F ZINC001210008639 1134121413 /nfs/dbraw/zinc/12/14/13/1134121413.db2.gz SBCCWHUDHWDHAD-UHFFFAOYSA-N -2 1 297.232 3.560 20 0 CHADML [O-]c1cc(F)c(Nc2ccc([S-])cc2)cc1F ZINC001215573397 1134644843 /nfs/dbraw/zinc/64/48/43/1134644843.db2.gz IVPGNRHOWCWJGV-UHFFFAOYSA-N -2 1 253.273 3.703 20 0 CHADML O=C([O-])c1cc(Cl)cc(Nc2ccc(F)c(F)c2[O-])c1 ZINC001211969575 1125546019 /nfs/dbraw/zinc/54/60/19/1125546019.db2.gz QASPIHHRFDYTIP-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML O=C([O-])c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1F ZINC001175158418 1121187668 /nfs/dbraw/zinc/18/76/68/1121187668.db2.gz QRPORHJSFLWQOB-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML O=C([O-])c1cncc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001175842599 1121470551 /nfs/dbraw/zinc/47/05/51/1121470551.db2.gz OYQVRBYRBSRAKS-UHFFFAOYSA-N -2 1 299.113 3.536 20 0 CHADML [O-]c1cc(F)cc(F)c1Nc1cccc([S-])c1 ZINC001210947599 1118429426 /nfs/dbraw/zinc/42/94/26/1118429426.db2.gz UTVGBSHEERMYHZ-UHFFFAOYSA-N -2 1 253.273 3.703 20 0 CHADML O=C(C=Cc1ccc([O-])c(Cl)c1)c1sccc1[O-] ZINC000184517837 1129209492 /nfs/dbraw/zinc/20/94/92/1129209492.db2.gz BTWDTJSJIRBHLD-DUXPYHPUSA-N -2 1 280.732 3.709 20 0 CHADML [O-]c1cc(Nc2cccc([S-])c2)cc(F)c1F ZINC001210951134 1134337833 /nfs/dbraw/zinc/33/78/33/1134337833.db2.gz YKZYGDLSXIXXSY-UHFFFAOYSA-N -2 1 253.273 3.703 20 0 CHADML [O-]c1cc(F)c(-c2ccc3oc(=S)[n-]c3c2)cc1F ZINC001211350908 1134411105 /nfs/dbraw/zinc/41/11/05/1134411105.db2.gz YCKBOWIZZHWGTP-UHFFFAOYSA-N -2 1 279.267 3.767 20 0 CHADML [O-]c1cc(F)c(-c2cc(F)ccc2[S-])cc1F ZINC001211360742 1134412370 /nfs/dbraw/zinc/41/23/70/1134412370.db2.gz VYPGXMXWJIUJNP-UHFFFAOYSA-N -2 1 256.248 3.765 20 0 CHADML CC(C)(C)c1nnc([N-]c2ccc(Cl)c([O-])c2F)o1 ZINC001214791596 1132551882 /nfs/dbraw/zinc/55/18/82/1132551882.db2.gz ZJEYBJFEVMADHX-UHFFFAOYSA-N -2 1 285.706 3.609 20 0 CHADML O=C([O-])c1cc(Cl)cc(Nc2cc([O-])c(F)c(F)c2)c1 ZINC001211966825 1125536122 /nfs/dbraw/zinc/53/61/22/1125536122.db2.gz NHYGJPCPSMMMGM-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML O=C([O-])c1ccc(Nc2cc([O-])c(Cl)cc2F)s1 ZINC001174810826 1121057649 /nfs/dbraw/zinc/05/76/49/1121057649.db2.gz UYETXUHTTVOHMR-UHFFFAOYSA-N -2 1 287.699 3.688 20 0 CHADML O=C([O-])c1cncc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001175843519 1121471836 /nfs/dbraw/zinc/47/18/36/1121471836.db2.gz PDYZJWPXAYOBRR-UHFFFAOYSA-N -2 1 299.113 3.536 20 0 CHADML O=C([O-])/C=C/c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1 ZINC001176595051 1121650632 /nfs/dbraw/zinc/65/06/32/1121650632.db2.gz AOPPIBPACMKVRH-ZZXKWVIFSA-N -2 1 291.253 3.512 20 0 CHADML O=C([O-])Cc1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001210071298 1134140869 /nfs/dbraw/zinc/14/08/69/1134140869.db2.gz QPEXUUFNEAJSQZ-UHFFFAOYSA-N -2 1 295.697 3.555 20 0 CHADML [O-]c1cc(F)c(-c2ccc([S-])c(F)c2)cc1F ZINC001211359186 1134412981 /nfs/dbraw/zinc/41/29/81/1134412981.db2.gz CSCQGLCGCMSSRU-UHFFFAOYSA-N -2 1 256.248 3.765 20 0 CHADML Cc1cc(Nc2cc(F)c([O-])cc2F)cc(C)c1C(=O)[O-] ZINC001216312616 1134846307 /nfs/dbraw/zinc/84/63/07/1134846307.db2.gz MXOVJMVSBSGKGM-UHFFFAOYSA-N -2 1 293.269 3.729 20 0 CHADML O=C([O-])c1cccc2oc(/C=C/c3ccc([O-])c(F)c3)nc21 ZINC000436785949 330685181 /nfs/dbraw/zinc/68/51/81/330685181.db2.gz WMWRRMZRUZVLAK-FNORWQNLSA-N -2 1 299.257 3.541 20 0 CHADML O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1ccccc1[O-] ZINC000038817992 1118171127 /nfs/dbraw/zinc/17/11/27/1118171127.db2.gz BPRWROSIZXZVSK-UHFFFAOYSA-N -2 1 298.125 3.657 20 0 CHADML O=C(Nc1ccc([O-])c(Cl)c1)c1cccc(Cl)c1[O-] ZINC000780992374 1123514344 /nfs/dbraw/zinc/51/43/44/1123514344.db2.gz RKEJCNRZIZIQHO-UHFFFAOYSA-N -2 1 298.125 3.657 20 0 CHADML O=C([O-])c1ccccc1Nc1cc([O-])c(Cl)cc1F ZINC001210967625 1118433283 /nfs/dbraw/zinc/43/32/83/1118433283.db2.gz NIWNUSHUENCPQQ-UHFFFAOYSA-N -2 1 281.670 3.627 20 0 CHADML O=C([O-])/C=C/c1ccc(Nc2cc(F)c([O-])cc2F)cc1 ZINC001176596125 1121651095 /nfs/dbraw/zinc/65/10/95/1121651095.db2.gz XUYGUNGFSOFFJJ-ZZXKWVIFSA-N -2 1 291.253 3.512 20 0 CHADML O=C([O-])c1sccc1Nc1cc([O-])c(Cl)cc1F ZINC001215394220 1134622456 /nfs/dbraw/zinc/62/24/56/1134622456.db2.gz POOOLDAEZGQRGA-UHFFFAOYSA-N -2 1 287.699 3.688 20 0 CHADML O=C([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cn1 ZINC001210176132 1118176112 /nfs/dbraw/zinc/17/61/12/1118176112.db2.gz DSTMPGBKBVAAPJ-UHFFFAOYSA-N -2 1 299.113 3.536 20 0 CHADML O=C(Nc1cc(Cl)ccc1O)c1ccc(Cl)cc1O ZINC000436711668 1122574754 /nfs/dbraw/zinc/57/47/54/1122574754.db2.gz BASIAUBIWDNYBF-UHFFFAOYSA-N -2 1 298.125 3.657 20 0 CHADML Cc1sc(/C=C\c2ccc([O-])c(Cl)c2)nc1C(=O)[O-] ZINC000436786752 1122582903 /nfs/dbraw/zinc/58/29/03/1122582903.db2.gz ZACKVPSFROGXIB-HYXAFXHYSA-N -2 1 295.747 3.679 20 0 CHADML O=c1oc2cc([O-])ccc2cc1Nc1cccc([S-])c1 ZINC001210946612 1134335815 /nfs/dbraw/zinc/33/58/15/1134335815.db2.gz RGSICZUQNMHWFI-UHFFFAOYSA-N -2 1 285.324 3.531 20 0 CHADML Cc1cc(Nc2ccc(F)c(F)c2[O-])cc(C)c1C(=O)[O-] ZINC001216312288 1134847227 /nfs/dbraw/zinc/84/72/27/1134847227.db2.gz KKLQOKDLBPDZQC-UHFFFAOYSA-N -2 1 293.269 3.729 20 0 CHADML O=C([O-])/C=C/c1ccc(Nc2ccc(F)c(F)c2[O-])cc1 ZINC001176597131 1121658244 /nfs/dbraw/zinc/65/82/44/1121658244.db2.gz NWJLKASCPHUEFB-FPYGCLRLSA-N -2 1 291.253 3.512 20 0 CHADML O=C([O-])/C=C/c1cccc(Nc2cc(F)c([O-])cc2F)c1 ZINC001174499672 1132866409 /nfs/dbraw/zinc/86/64/09/1132866409.db2.gz JOVWNDVHZCLCNA-SNAWJCMRSA-N -2 1 291.253 3.512 20 0 CHADML O=C([O-])c1ccc(Nc2ccc(F)c(F)c2[O-])cc1Cl ZINC001175321577 1121282207 /nfs/dbraw/zinc/28/22/07/1121282207.db2.gz LGQJUVBKYNCJDY-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML [O-]c1c(F)c(F)ccc1Nc1cccc([S-])c1 ZINC001210948046 1134336142 /nfs/dbraw/zinc/33/61/42/1134336142.db2.gz BGIXXHMEAQRURL-UHFFFAOYSA-N -2 1 253.273 3.703 20 0 CHADML Cc1c(Nc2cc([O-])c(Cl)cc2F)cccc1C(=O)[O-] ZINC001216661537 1134941891 /nfs/dbraw/zinc/94/18/91/1134941891.db2.gz KCCCMAGKBMZCJQ-UHFFFAOYSA-N -2 1 295.697 3.935 20 0 CHADML Cc1c(F)cc(C(=O)[O-])cc1Nc1ccc(F)c(F)c1[O-] ZINC001210006994 1134121721 /nfs/dbraw/zinc/12/17/21/1134121721.db2.gz HAUUSXWTRNXASR-UHFFFAOYSA-N -2 1 297.232 3.560 20 0 CHADML Cc1cc(Nc2cc([O-])c(F)c(F)c2)cc(C)c1C(=O)[O-] ZINC001216312058 1134846969 /nfs/dbraw/zinc/84/69/69/1134846969.db2.gz ZBGXTQCCHZYEEP-UHFFFAOYSA-N -2 1 293.269 3.729 20 0 CHADML O=C([O-])c1cc(Cl)cc(Nc2cc(F)c([O-])cc2F)c1 ZINC001211966557 1125536016 /nfs/dbraw/zinc/53/60/16/1125536016.db2.gz FGHXFUNLBMFKTB-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML O=C([O-])c1ccc(Nc2c([O-])cc(F)cc2F)cc1Cl ZINC001175318657 1121280808 /nfs/dbraw/zinc/28/08/08/1121280808.db2.gz CRYJTGNNGHNYIK-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML [O-]c1c(Cl)ccc([N-]c2nnc(-c3ccco3)o2)c1F ZINC001214791000 1134573218 /nfs/dbraw/zinc/57/32/18/1134573218.db2.gz FZJSDVFKVGDMGM-UHFFFAOYSA-N -2 1 295.657 3.571 20 0 CHADML C[C@H](Oc1nc2c(cc(Cl)nc2Cl)[n-]1)C1=CC=C[CH]1 ZINC001231047801 1132248464 /nfs/dbraw/zinc/24/84/64/1132248464.db2.gz CRRAATKFRWLMGE-ZETCQYMHSA-N -2 1 295.149 3.732 20 0 CHADML C[C@H](Oc1nc2cc(Cl)nc(Cl)c2[n-]1)C1=CC=C[CH]1 ZINC001231047801 1132248472 /nfs/dbraw/zinc/24/84/72/1132248472.db2.gz CRRAATKFRWLMGE-ZETCQYMHSA-N -2 1 295.149 3.732 20 0 CHADML O=C([O-])c1ccc(Nc2c(Cl)ccc([O-])c2Cl)cn1 ZINC001210175620 1134159964 /nfs/dbraw/zinc/15/99/64/1134159964.db2.gz LSHOJMALVJOWQW-UHFFFAOYSA-N -2 1 299.113 3.536 20 0 CHADML O=C([O-])c1cccc(Nc2cc([O-])c(Cl)cc2F)c1F ZINC001210242370 1134176353 /nfs/dbraw/zinc/17/63/53/1134176353.db2.gz KLRYSUOUDXLXFE-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML [O-]c1c(F)cc(F)c(Nc2ccccc2[S-])c1F ZINC001176669971 1121672069 /nfs/dbraw/zinc/67/20/69/1121672069.db2.gz PVDMRFVPKWBJJJ-UHFFFAOYSA-N -2 1 271.263 3.842 20 0 CHADML Cc1sc(/C=C/c2ccc([O-])c(Cl)c2)nc1C(=O)[O-] ZINC000436786751 1122583575 /nfs/dbraw/zinc/58/35/75/1122583575.db2.gz ZACKVPSFROGXIB-HWKANZROSA-N -2 1 295.747 3.679 20 0 CHADML Cc1c(Cl)c([N-]c2nnc(C(C)C)o2)ccc1C(=O)[O-] ZINC001215690074 1118559098 /nfs/dbraw/zinc/55/90/98/1118559098.db2.gz HIXMTIFVPZXZGC-UHFFFAOYSA-N -2 1 295.726 3.597 20 0 CHADML O=C([O-])c1ccc2oc(/C=C/c3ccc([O-])c(F)c3)nc2c1 ZINC000436786786 1122583013 /nfs/dbraw/zinc/58/30/13/1122583013.db2.gz ZKLZKBIGLIJNPN-QHHAFSJGSA-N -2 1 299.257 3.541 20 0 CHADML Cc1cc(C(=O)[O-])ccc1Nc1cc([O-])c(Cl)cc1F ZINC001211622726 1119586451 /nfs/dbraw/zinc/58/64/51/1119586451.db2.gz LPPNBTYSOWOUNQ-UHFFFAOYSA-N -2 1 295.697 3.935 20 0 CHADML O=C([O-])c1ccc(Nc2cc([O-])c(F)c(F)c2)cc1Cl ZINC001175320691 1121282369 /nfs/dbraw/zinc/28/23/69/1121282369.db2.gz VGCAEHKIUPWVIQ-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML O=C([O-])c1cc(Cl)cc(Nc2ccnc(Cl)c2[O-])c1 ZINC001211962952 1125527093 /nfs/dbraw/zinc/52/70/93/1125527093.db2.gz ULDCDXBEEGOOIJ-UHFFFAOYSA-N -2 1 299.113 3.536 20 0 CHADML O=C([O-])c1cc(Nc2cc([O-])c(Cl)cc2F)ccc1F ZINC001175220224 1121228123 /nfs/dbraw/zinc/22/81/23/1121228123.db2.gz NTFSOZIKWPSOKI-UHFFFAOYSA-N -2 1 299.660 3.766 20 0 CHADML O=C([O-])c1ccc(Nc2ccnc(Cl)c2[O-])cc1Cl ZINC001175314038 1121279359 /nfs/dbraw/zinc/27/93/59/1121279359.db2.gz AGZVEOYTMUOSFV-UHFFFAOYSA-N -2 1 299.113 3.536 20 0 CHADML