smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2c(Cl)ccc([O-])c2Cl)cc(C(=O)[O-])c1 ZINC001211544457 1038659266 /nfs/dbraw/zinc/65/92/66/1038659266.db2.gz AQCRFMDDHMGIME-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])Cc1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001174953859 1048047509 /nfs/dbraw/zinc/04/75/09/1048047509.db2.gz QWTLOQQRKOYEHW-UHFFFAOYSA-N -2 1 312.152 4.070 20 0 DIADML O=C([O-])c1ccc(Nc2c(Cl)ccc([O-])c2Cl)c(F)c1 ZINC001203292850 1049091061 /nfs/dbraw/zinc/09/10/61/1049091061.db2.gz XOGRTJMPJNZNOC-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML CCCCCC[C@H](CCCC)OCCCC[P@](=O)([O-])O ZINC001225018940 1052743933 /nfs/dbraw/zinc/74/39/33/1052743933.db2.gz MISGYSFSIFVKQO-HNNXBMFYSA-N -2 1 308.399 4.490 20 0 DIADML C[C@@H](Oc1cc([O-])ccc1C(=O)c1ccccc1)C1=CC=C[CH]1 ZINC001228185639 1053051368 /nfs/dbraw/zinc/05/13/68/1053051368.db2.gz JXLIZUYMVHWSCX-CQSZACIVSA-N -2 1 305.353 4.091 20 0 DIADML C[C@H](Oc1cc([O-])ccc1C(=O)c1ccccc1)C1=CC=C[CH]1 ZINC001228185634 1053051412 /nfs/dbraw/zinc/05/14/12/1053051412.db2.gz JXLIZUYMVHWSCX-AWEZNQCLSA-N -2 1 305.353 4.091 20 0 DIADML O=C([O-])c1ccc2nc(/C=C\c3ccc([O-])c(Cl)c3)oc2c1 ZINC000439267613 338365457 /nfs/dbraw/zinc/36/54/57/338365457.db2.gz CZIXOWXFXMJDKP-KXFIGUGUSA-N -2 1 315.712 4.055 20 0 DIADML Cc1cc(Nc2c(Cl)ccc([O-])c2Cl)ccc1C(=O)[O-] ZINC001211658601 1041815543 /nfs/dbraw/zinc/81/55/43/1041815543.db2.gz UGPJBYPETUIWMT-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1Cl ZINC001175319171 1048262407 /nfs/dbraw/zinc/26/24/07/1048262407.db2.gz PDXGXNGMYGAMND-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])c1cc(Nc2c(Cl)ccc([O-])c2Cl)cs1 ZINC001176439127 1048673570 /nfs/dbraw/zinc/67/35/70/1048673570.db2.gz LIYMBLCTUGTFRS-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML Cc1c(Cl)cc(Nc2ccc(C(=O)[O-])cc2)c([O-])c1Cl ZINC001176715894 1048785075 /nfs/dbraw/zinc/78/50/75/1048785075.db2.gz SXZKDKMIBFWKRE-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])Cc1cccc(Nc2cc(Cl)c([O-])cc2Cl)c1 ZINC001210071714 1050132275 /nfs/dbraw/zinc/13/22/75/1050132275.db2.gz NVNUPTFEIBNXGS-UHFFFAOYSA-N -2 1 312.152 4.070 20 0 DIADML O=C([O-])Cc1cccc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001210072011 1050132440 /nfs/dbraw/zinc/13/24/40/1050132440.db2.gz RSSGQXWHNFTFNS-UHFFFAOYSA-N -2 1 312.152 4.070 20 0 DIADML Cc1cc(Nc2cc([O-])c(Cl)cc2F)cc(C)c1C(=O)[O-] ZINC001216311603 1051690603 /nfs/dbraw/zinc/69/06/03/1051690603.db2.gz OMDSYNWMTBMPIW-UHFFFAOYSA-N -2 1 309.724 4.243 20 0 DIADML Cc1c(Nc2c(Cl)ccc([O-])c2Cl)cccc1C(=O)[O-] ZINC001216661963 1051856067 /nfs/dbraw/zinc/85/60/67/1051856067.db2.gz WGKCJQFLOPFVTN-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML C[C@@H](Oc1cc([O-])ccc1C(=O)Cc1ccccc1)C1=CC=C[CH]1 ZINC001229259408 1053285973 /nfs/dbraw/zinc/28/59/73/1053285973.db2.gz LPANYNOBTCKYHP-OAHLLOKOSA-N -2 1 319.380 4.285 20 0 DIADML O=C([O-])c1ccc(Nc2c(Cl)ccc([O-])c2Cl)s1 ZINC001174809292 1047991214 /nfs/dbraw/zinc/99/12/14/1047991214.db2.gz DKNLOTYWTRLTCE-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML Cc1c(Cl)cc(Nc2cccc(C(=O)[O-])c2)c([O-])c1Cl ZINC001175331455 1048266764 /nfs/dbraw/zinc/26/67/64/1048266764.db2.gz UDMRLIVXKLHSLZ-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])c(F)c1 ZINC001203291874 1049073549 /nfs/dbraw/zinc/07/35/49/1049073549.db2.gz ANLPDMRXOFTWOF-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML Cc1c(Nc2ccc(Cl)c(Cl)c2[O-])cccc1C(=O)[O-] ZINC001216661691 1051856245 /nfs/dbraw/zinc/85/62/45/1051856245.db2.gz NLBCLQVZRYKJAD-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=[P@]([O-])(O)CCCCO[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC001225018711 1052743807 /nfs/dbraw/zinc/74/38/07/1052743807.db2.gz GGYITKRUPVFSHI-HZPDHXFCSA-N -2 1 318.394 4.100 20 0 DIADML C[C@@H](Oc1ccccc1C(=O)c1ccc([O-])cc1)C1=CC=C[CH]1 ZINC001231230076 1053707588 /nfs/dbraw/zinc/70/75/88/1053707588.db2.gz KTAUUTZDXRVQIA-CQSZACIVSA-N -2 1 305.353 4.091 20 0 DIADML O=C([O-])c1ccc2nc(/C=C/c3ccc([O-])c(F)c3)sc2c1 ZINC000436914143 338293167 /nfs/dbraw/zinc/29/31/67/338293167.db2.gz KUJIJDWPVCZFEG-QHHAFSJGSA-N -2 1 315.325 4.010 20 0 DIADML O=C([O-])c1ccc(Nc2cc(Cl)c([O-])cc2Cl)cc1F ZINC001175158746 1048149097 /nfs/dbraw/zinc/14/90/97/1048149097.db2.gz VPTFPNOMIOPMPM-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])Cc1cccc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001210073139 1050132739 /nfs/dbraw/zinc/13/27/39/1050132739.db2.gz ILIPEVQGSLGSFY-UHFFFAOYSA-N -2 1 312.152 4.070 20 0 DIADML O=C([O-])c1sccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001215395576 1051186641 /nfs/dbraw/zinc/18/66/41/1051186641.db2.gz MRVZRAFFUNZRKS-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML CCCCCC[C@@H](CCCC)OCCCC[P@](=O)([O-])O ZINC001225018941 1052743747 /nfs/dbraw/zinc/74/37/47/1052743747.db2.gz MISGYSFSIFVKQO-OAHLLOKOSA-N -2 1 308.399 4.490 20 0 DIADML O=C([O-])c1ccc(Nc2cc([O-])c(Cl)cc2F)c(Cl)c1 ZINC001248554989 1059881025 /nfs/dbraw/zinc/88/10/25/1059881025.db2.gz YFKUIIGEBYVOJR-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML Cc1cc(C(=O)[O-])ccc1Nc1c(Cl)ccc([O-])c1Cl ZINC001211624677 1040079690 /nfs/dbraw/zinc/07/96/90/1040079690.db2.gz QALBDWMCEHQPQZ-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])s1 ZINC001174809881 1047991415 /nfs/dbraw/zinc/99/14/15/1047991415.db2.gz UOSAKKDZGPVYOJ-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML O=C([O-])Cc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1 ZINC001174954682 1048046475 /nfs/dbraw/zinc/04/64/75/1048046475.db2.gz QJIJBSNITMNURI-UHFFFAOYSA-N -2 1 312.152 4.070 20 0 DIADML O=C([O-])c1sccc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001215394295 1051186303 /nfs/dbraw/zinc/18/63/03/1051186303.db2.gz SYAJRCSHHGQNNB-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML O=[P@]([O-])(O)CCCCOC1CCC(C2CCCCC2)CC1 ZINC001225018978 1052744120 /nfs/dbraw/zinc/74/41/20/1052744120.db2.gz NJKZHFQHZILLSB-UHFFFAOYSA-N -2 1 318.394 4.100 20 0 DIADML C[C@H](Oc1ccc(C(=O)c2ccc([O-])cc2)cc1)C1=CC=C[CH]1 ZINC001225806839 1052833003 /nfs/dbraw/zinc/83/30/03/1052833003.db2.gz FAMNXPSZBUTSCH-AWEZNQCLSA-N -2 1 305.353 4.091 20 0 DIADML [O-]c1cc(Nc2ccc(Cl)cc2[S-])c(F)c(F)c1F ZINC001249965116 1060507480 /nfs/dbraw/zinc/50/74/80/1060507480.db2.gz WANGTDMGZOQHGA-UHFFFAOYSA-N -2 1 305.708 4.495 20 0 DIADML Cc1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1C(=O)[O-] ZINC001211606300 1039547917 /nfs/dbraw/zinc/54/79/17/1039547917.db2.gz LPJWYIIOABONMC-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])s1 ZINC001174808289 1047990443 /nfs/dbraw/zinc/99/04/43/1047990443.db2.gz SWKUZYAQOPYEGV-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML O=C([O-])Cc1ccc(Nc2cc(Cl)c([O-])cc2Cl)cc1 ZINC001174953869 1048046862 /nfs/dbraw/zinc/04/68/62/1048046862.db2.gz RFTVNLKIZCJSBO-UHFFFAOYSA-N -2 1 312.152 4.070 20 0 DIADML O=C([O-])c1cc(Nc2ccc(Cl)c(Cl)c2[O-])cs1 ZINC001176441214 1048674447 /nfs/dbraw/zinc/67/44/47/1048674447.db2.gz RPYQSOLUGGGAPB-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML O=C([O-])c1ccc(Nc2cc(Cl)c([O-])cc2Cl)c(F)c1 ZINC001203291975 1049073598 /nfs/dbraw/zinc/07/35/98/1049073598.db2.gz DLRORYNWWJUFFO-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=[P@]([O-])(O)CCCCO[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC001225018712 1052743845 /nfs/dbraw/zinc/74/38/45/1052743845.db2.gz GGYITKRUPVFSHI-JKSUJKDBSA-N -2 1 318.394 4.100 20 0 DIADML C[C@H](Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1)C1=CC=C[CH]1 ZINC001233942252 1054395157 /nfs/dbraw/zinc/39/51/57/1054395157.db2.gz UGJZMDRMGOKMJZ-HNNXBMFYSA-N -2 1 319.380 4.285 20 0 DIADML O=C([O-])c1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1F ZINC001175160673 1048150590 /nfs/dbraw/zinc/15/05/90/1048150590.db2.gz RCFXBKCBRGMWMR-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])cc1F ZINC001175160250 1048150667 /nfs/dbraw/zinc/15/06/67/1048150667.db2.gz MYDMYQWKTKUJQV-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])c1cc(Nc2ccc(Cl)c(Cl)c2[O-])ccc1F ZINC001175223839 1048203162 /nfs/dbraw/zinc/20/31/62/1048203162.db2.gz XZTDTTGTHIQQTF-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C(Nc1cccc(Cl)c1O)c1cc(O)c2ccccc2c1 ZINC000472424267 1055717958 /nfs/dbraw/zinc/71/79/58/1055717958.db2.gz FQAFMYKEJSUEOC-UHFFFAOYSA-N -2 1 313.740 4.157 20 0 DIADML O=C([O-])c1cccc(Nc2ccc(Cl)c(Cl)c2[O-])c1F ZINC001210241609 1050175419 /nfs/dbraw/zinc/17/54/19/1050175419.db2.gz MOGSPVXPIIRDNB-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML [O-]c1cc(F)c(Nc2ccc3[n-]c(=S)sc3c2)cc1F ZINC001215573833 1051254636 /nfs/dbraw/zinc/25/46/36/1051254636.db2.gz QSBQRZRHKQNSEN-UHFFFAOYSA-N -2 1 310.350 4.312 20 0 DIADML C[C@H](Oc1cc([O-])ccc1C(=O)Cc1ccccc1)C1=CC=C[CH]1 ZINC001229259405 1053286294 /nfs/dbraw/zinc/28/62/94/1053286294.db2.gz LPANYNOBTCKYHP-HNNXBMFYSA-N -2 1 319.380 4.285 20 0 DIADML [O-]c1cc(Nc2cc(Cl)ccc2[S-])c(F)c(F)c1F ZINC001249963415 1060508071 /nfs/dbraw/zinc/50/80/71/1060508071.db2.gz VQLAVDMXQQOOIC-UHFFFAOYSA-N -2 1 305.708 4.495 20 0 DIADML O=C([O-])c1cccc2oc(/C=C\c3ccc([O-])c(Cl)c3)nc21 ZINC000439271926 338365628 /nfs/dbraw/zinc/36/56/28/338365628.db2.gz HIHMVRDOTLVFBE-ALCCZGGFSA-N -2 1 315.712 4.055 20 0 DIADML Cc1ccc(Nc2cc(Cl)c([O-])cc2Cl)cc1C(=O)[O-] ZINC001211604184 1039528105 /nfs/dbraw/zinc/52/81/05/1039528105.db2.gz SZCSTTUGQAEXJU-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML Cc1cc(C(=O)[O-])ccc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001211624456 1040057941 /nfs/dbraw/zinc/05/79/41/1040057941.db2.gz IMPFUYZJIWJWFX-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1cccc(Nc2cc(Cl)c([O-])cc2Cl)c1F ZINC001210242510 1050177209 /nfs/dbraw/zinc/17/72/09/1050177209.db2.gz MOVAXYONERWFIN-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])c1sccc1Nc1c(Cl)ccc([O-])c1Cl ZINC001215396176 1051186605 /nfs/dbraw/zinc/18/66/05/1051186605.db2.gz YOLBEVJBBFSLGF-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML Cc1c(C(=O)[O-])ccc(Nc2c([O-])cc(F)cc2F)c1Cl ZINC001215692076 1051304796 /nfs/dbraw/zinc/30/47/96/1051304796.db2.gz FBBAYMZZNYZCCY-UHFFFAOYSA-N -2 1 313.687 4.074 20 0 DIADML Cc1c(C(=O)[O-])ccc(Nc2cc(F)c([O-])cc2F)c1Cl ZINC001215692780 1051306077 /nfs/dbraw/zinc/30/60/77/1051306077.db2.gz PSCWKYUOPHJGAQ-UHFFFAOYSA-N -2 1 313.687 4.074 20 0 DIADML O=C([O-])c1cc(F)cc(Nc2c(Cl)ccc([O-])c2Cl)c1 ZINC001209890171 1036288563 /nfs/dbraw/zinc/28/85/63/1036288563.db2.gz ZLQOWLGTGAFWQU-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML Cc1ccc(C(=O)[O-])cc1Nc1cc(Cl)c([O-])cc1Cl ZINC001174981453 1048078926 /nfs/dbraw/zinc/07/89/26/1048078926.db2.gz CRARBVYUICUGBR-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1cc(Nc2cc(Cl)cc(Cl)c2[O-])cs1 ZINC001176438819 1048671520 /nfs/dbraw/zinc/67/15/20/1048671520.db2.gz DPYKDHXNMLZJQM-UHFFFAOYSA-N -2 1 304.154 4.202 20 0 DIADML O=C([O-])c1cccc(Nc2cc(Cl)cc(Cl)c2[O-])c1F ZINC001210242132 1050177830 /nfs/dbraw/zinc/17/78/30/1050177830.db2.gz CLHGCKQUBGNNNV-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML [O-]c1c(Br)c(F)ccc1Nc1cccc([S-])c1 ZINC001210948061 1050429282 /nfs/dbraw/zinc/42/92/82/1050429282.db2.gz BQKWIWXYRRVWNE-UHFFFAOYSA-N -2 1 314.179 4.326 20 0 DIADML [O-]c1cc(Nc2c([S-])cccc2Cl)c(F)c(F)c1F ZINC001249965784 1060513014 /nfs/dbraw/zinc/51/30/14/1060513014.db2.gz LNQRWEUYOPYWTF-UHFFFAOYSA-N -2 1 305.708 4.495 20 0 DIADML Cc1cc(Nc2ccc(Cl)c(Cl)c2[O-])cc(C(=O)[O-])c1 ZINC001211547017 1038684690 /nfs/dbraw/zinc/68/46/90/1038684690.db2.gz AGBCVKUCCFLDQR-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML Cc1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1C(=O)[O-] ZINC001211603912 1039521161 /nfs/dbraw/zinc/52/11/61/1039521161.db2.gz JTVFCGYJWUOZMT-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML Cc1cc(C(=O)[O-])ccc1Nc1cc(Cl)c([O-])cc1Cl ZINC001211624358 1040048983 /nfs/dbraw/zinc/04/89/83/1040048983.db2.gz DDOFFRHAUNTMIZ-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML Cc1ccc(C(=O)[O-])cc1Nc1cc(Cl)cc(Cl)c1[O-] ZINC001174981705 1048079770 /nfs/dbraw/zinc/07/97/70/1048079770.db2.gz GHCHIGCJBBYSAE-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1cc(Nc2cc(Cl)cc(Cl)c2[O-])ccc1F ZINC001175220141 1048201062 /nfs/dbraw/zinc/20/10/62/1048201062.db2.gz KFOJNBQRRMQYIJ-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML [O-]c1c(F)cc(F)c(Nc2cc(Cl)ccc2[S-])c1F ZINC001176669432 1048752753 /nfs/dbraw/zinc/75/27/53/1048752753.db2.gz IDXXULKFLWTFFK-UHFFFAOYSA-N -2 1 305.708 4.495 20 0 DIADML O=C([O-])c1ccc(Nc2ccc(Cl)c(Cl)c2[O-])c(F)c1 ZINC001203293668 1048861457 /nfs/dbraw/zinc/86/14/57/1048861457.db2.gz XNSFUPIINYLGMB-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML CSc1ccccc1[N-]C(=S)Nc1ccc(F)cc1[O-] ZINC001249702131 1060358423 /nfs/dbraw/zinc/35/84/23/1060358423.db2.gz NSBLFWHYDGITLS-UHFFFAOYSA-N -2 1 308.403 4.062 20 0 DIADML CSc1ccccc1[N-]C(=S)Nc1cccc(F)c1[O-] ZINC001249703638 1060359070 /nfs/dbraw/zinc/35/90/70/1060359070.db2.gz WZDVSZXAWXAJGO-UHFFFAOYSA-N -2 1 308.403 4.062 20 0 DIADML O=C([O-])c1ccc2oc(/C=C\c3ccc([O-])c(Cl)c3)nc2c1 ZINC000439268025 338365535 /nfs/dbraw/zinc/36/55/35/338365535.db2.gz FKZJUMDURMMPQK-KXFIGUGUSA-N -2 1 315.712 4.055 20 0 DIADML Cc1cc(Nc2ccc(Cl)c(Cl)c2[O-])ccc1C(=O)[O-] ZINC001211660881 1041839877 /nfs/dbraw/zinc/83/98/77/1041839877.db2.gz QKDYVPUMNLTFRT-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1cc(F)c([N-]c2nc3cc(Cl)ccc3o2)c(F)c1 ZINC001215609818 1051274090 /nfs/dbraw/zinc/27/40/90/1051274090.db2.gz IOPRTXNJBZQDMC-UHFFFAOYSA-N -2 1 324.670 4.201 20 0 DIADML Cc1c(Nc2cc(Cl)cc(Cl)c2[O-])cccc1C(=O)[O-] ZINC001216661527 1051855541 /nfs/dbraw/zinc/85/55/41/1051855541.db2.gz JTFVZUFRDTWNRK-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML Cc1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1C(=O)[O-] ZINC001211604165 1039528561 /nfs/dbraw/zinc/52/85/61/1039528561.db2.gz SARLPIWPHYCTEZ-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1ccc(Nc2cc(Cl)cc(Cl)c2[O-])cc1F ZINC001175157552 1048148772 /nfs/dbraw/zinc/14/87/72/1048148772.db2.gz HUFWAGRCLHLLDK-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])c1cccc(Nc2c(Cl)ccc([O-])c2Cl)c1F ZINC001210243014 1050177555 /nfs/dbraw/zinc/17/75/55/1050177555.db2.gz YVBPMUROZBEYEC-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])/C=C/c1cccc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001174496746 1052176826 /nfs/dbraw/zinc/17/68/26/1052176826.db2.gz UCYXGZXCOQFPLA-SNAWJCMRSA-N -2 1 307.708 4.026 20 0 DIADML O=[P@]([O-])(O)CCCCO[C@H]1CCCC[C@@H]1C1CCCCC1 ZINC001225018709 1052743903 /nfs/dbraw/zinc/74/39/03/1052743903.db2.gz GGYITKRUPVFSHI-CVEARBPZSA-N -2 1 318.394 4.100 20 0 DIADML C[C@@H](Oc1ccc(C(=O)c2ccc([O-])cc2)cc1)C1=CC=C[CH]1 ZINC001225806841 1052832932 /nfs/dbraw/zinc/83/29/32/1052832932.db2.gz FAMNXPSZBUTSCH-CQSZACIVSA-N -2 1 305.353 4.091 20 0 DIADML C[C@H](Oc1ccccc1C(=O)c1ccc([O-])cc1)C1=CC=C[CH]1 ZINC001231230075 1053707652 /nfs/dbraw/zinc/70/76/52/1053707652.db2.gz KTAUUTZDXRVQIA-AWEZNQCLSA-N -2 1 305.353 4.091 20 0 DIADML C[C@@H](Oc1ccc(CC(=O)c2ccc([O-])cc2)cc1)C1=CC=C[CH]1 ZINC001233942253 1054396430 /nfs/dbraw/zinc/39/64/30/1054396430.db2.gz UGJZMDRMGOKMJZ-OAHLLOKOSA-N -2 1 319.380 4.285 20 0 DIADML Cc1cc(Nc2cc(Cl)cc(Cl)c2[O-])cc(C(=O)[O-])c1 ZINC001211545391 1038670401 /nfs/dbraw/zinc/67/04/01/1038670401.db2.gz YYWZHFAAYSKSHV-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML Cc1cc(Nc2cc(Cl)c([O-])cc2Cl)ccc1C(=O)[O-] ZINC001211658777 1041816730 /nfs/dbraw/zinc/81/67/30/1041816730.db2.gz ZDFGUPWQSWPFFJ-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])Cc1ccc(Nc2c(Cl)ccc([O-])c2Cl)cc1 ZINC001174953280 1048046804 /nfs/dbraw/zinc/04/68/04/1048046804.db2.gz NTULXBSHGVUPNX-UHFFFAOYSA-N -2 1 312.152 4.070 20 0 DIADML O=C([O-])c1cc(Nc2c(Cl)ccc([O-])c2Cl)ccc1F ZINC001175219913 1048200047 /nfs/dbraw/zinc/20/00/47/1048200047.db2.gz IGWONWMRGDZWIW-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML [O-]c1c(F)cc(F)c(Nc2c([S-])cccc2Cl)c1F ZINC001176674759 1048757025 /nfs/dbraw/zinc/75/70/25/1048757025.db2.gz VGIQRUDSHMIOGG-UHFFFAOYSA-N -2 1 305.708 4.495 20 0 DIADML O=C([O-])c1cc(F)cc(Nc2ccc(Cl)c(Cl)c2[O-])c1 ZINC001209890672 1050101240 /nfs/dbraw/zinc/10/12/40/1050101240.db2.gz SEFDBBLRHVEDAI-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])Cc1cccc(Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001210071193 1050132199 /nfs/dbraw/zinc/13/21/99/1050132199.db2.gz HTXLWZPGCWJBOI-UHFFFAOYSA-N -2 1 312.152 4.070 20 0 DIADML [O-]c1cc(Nc2cc(Cl)c([O-])c(Cl)c2)cc(F)c1F ZINC001210928739 1050418675 /nfs/dbraw/zinc/41/86/75/1050418675.db2.gz JCKDCJYXIJVZRE-UHFFFAOYSA-N -2 1 306.095 4.426 20 0 DIADML Cc1c(Nc2cc(Cl)c([O-])cc2Cl)cccc1C(=O)[O-] ZINC001216661619 1051855755 /nfs/dbraw/zinc/85/57/55/1051855755.db2.gz OFAAHWYSNCESPK-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=[P@]([O-])(O)CCCCO[C@H]1CCCC[C@H]1C1CCCCC1 ZINC001225018710 1052744045 /nfs/dbraw/zinc/74/40/45/1052744045.db2.gz GGYITKRUPVFSHI-HOTGVXAUSA-N -2 1 318.394 4.100 20 0 DIADML CCCCC[C@H]1CC[C@H](OCCCC[P@](=O)([O-])O)CC1 ZINC001225019110 1052744314 /nfs/dbraw/zinc/74/43/14/1052744314.db2.gz RQVUMQLJJTVMMK-SHTZXODSSA-N -2 1 306.383 4.100 20 0 DIADML O=C([O-])c1cc(Cl)cc(Nc2cc([O-])c(Cl)cc2F)c1 ZINC001211964794 1046561456 /nfs/dbraw/zinc/56/14/56/1046561456.db2.gz BTIOWQDFXLBSCM-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML Cc1ccc(C(=O)[O-])cc1Nc1c(Cl)ccc([O-])c1Cl ZINC001174981510 1048079610 /nfs/dbraw/zinc/07/96/10/1048079610.db2.gz DPMFSJCFFVONCK-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])c1cc(Nc2cc(Cl)c([O-])cc2Cl)ccc1F ZINC001175219923 1048200456 /nfs/dbraw/zinc/20/04/56/1048200456.db2.gz IPVYRWPDWNATBV-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML O=C([O-])/C=C/c1ccc(Nc2cc([O-])c(Cl)cc2F)cc1 ZINC001176595410 1048719834 /nfs/dbraw/zinc/71/98/34/1048719834.db2.gz OFPRHJBYWRFPSO-ZZXKWVIFSA-N -2 1 307.708 4.026 20 0 DIADML O=C([O-])c1cc(F)cc(Nc2cc(Cl)c([O-])cc2Cl)c1 ZINC001209890190 1050101127 /nfs/dbraw/zinc/10/11/27/1050101127.db2.gz ZWJWXBUBGRECOQ-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML Cc1c(C(=O)[O-])ccc(Nc2cc([O-])c(F)c(F)c2)c1Cl ZINC001215693011 1051306995 /nfs/dbraw/zinc/30/69/95/1051306995.db2.gz XPPFRLXKBNVCDY-UHFFFAOYSA-N -2 1 313.687 4.074 20 0 DIADML CCCC[C@H](OCCCC[P@](=O)([O-])O)C1CCCCC1 ZINC001225018963 1052743896 /nfs/dbraw/zinc/74/38/96/1052743896.db2.gz NFAFLMLOHUHDPD-HNNXBMFYSA-N -2 1 306.383 4.100 20 0 DIADML CCCCC[C@H](OCCCC[P@](=O)([O-])O)c1ccccc1 ZINC001225019135 1052744022 /nfs/dbraw/zinc/74/40/22/1052744022.db2.gz SOQYOABMNSNZMD-INIZCTEOSA-N -2 1 314.362 4.283 20 0 DIADML Cc1cc(Nc2cc(Cl)c([O-])cc2Cl)cc(C(=O)[O-])c1 ZINC001211545099 1038666614 /nfs/dbraw/zinc/66/66/14/1038666614.db2.gz SXNXVWALUKZSFB-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML Cc1cc(C(=O)[O-])ccc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001211626505 1040142215 /nfs/dbraw/zinc/14/22/15/1040142215.db2.gz INYLHDVDBUCPEQ-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML Cc1ccc(C(=O)[O-])cc1Nc1ccc(Cl)c(Cl)c1[O-] ZINC001174984623 1048080841 /nfs/dbraw/zinc/08/08/41/1048080841.db2.gz QIZZWYGMFKMODN-UHFFFAOYSA-N -2 1 312.152 4.449 20 0 DIADML O=C([O-])C1(c2ccc(Nc3cc([O-])c(Cl)cc3F)cc2)CC1 ZINC001176589709 1048718885 /nfs/dbraw/zinc/71/88/85/1048718885.db2.gz JNOUIRFYCPIQMW-UHFFFAOYSA-N -2 1 321.735 4.045 20 0 DIADML [O-]c1c(F)cc(F)c(Nc2ccc(Cl)cc2[S-])c1F ZINC001176673673 1048758563 /nfs/dbraw/zinc/75/85/63/1048758563.db2.gz VQEYYEAATATSTH-UHFFFAOYSA-N -2 1 305.708 4.495 20 0 DIADML O=C([O-])c1cc(F)cc(Nc2cc(Cl)cc(Cl)c2[O-])c1 ZINC001209889347 1050101144 /nfs/dbraw/zinc/10/11/44/1050101144.db2.gz LFNRSINUWBYLFW-UHFFFAOYSA-N -2 1 316.115 4.280 20 0 DIADML Cc1c(F)cc(C(=O)[O-])cc1Nc1cc([O-])c(Cl)cc1F ZINC001210008861 1050121794 /nfs/dbraw/zinc/12/17/94/1050121794.db2.gz WDLUWKSDNMFCGB-UHFFFAOYSA-N -2 1 313.687 4.074 20 0 DIADML Cc1c(C(=O)[O-])ccc(Nc2ccc(F)c(F)c2[O-])c1Cl ZINC001215693065 1051306251 /nfs/dbraw/zinc/30/62/51/1051306251.db2.gz ZJNVNNGLKKRQBF-UHFFFAOYSA-N -2 1 313.687 4.074 20 0 DIADML