smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/C(C)=C(\C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813682350 1041726143 /nfs/dbraw/zinc/72/61/43/1041726143.db2.gz ADGOZUBBNFWXGY-CMDGGOBGSA-N -1 0 302.201 4.062 20 10 DICDRM C/C=C(/C=C\C(=O)NCc1cc(Cl)cc(Cl)c1[O-])CC ZINC000813683311 1041726636 /nfs/dbraw/zinc/72/66/36/1041726636.db2.gz KBSXNCKPZJRUJS-VMTDUWPYSA-N -1 0 314.212 4.228 20 10 DICDRM CC(C)COC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccco1 ZINC000185288947 1043198088 /nfs/dbraw/zinc/19/80/88/1043198088.db2.gz PXZOOSIIQAYXBU-BBRMVZONSA-N -1 0 321.392 4.189 20 10 DICDRM Oc1c(F)cc(Cl)cc1CNc1cccc2ccncc21 ZINC000777499346 1045157643 /nfs/dbraw/zinc/15/76/43/1045157643.db2.gz CHHIGHRLKWLCEO-UHFFFAOYSA-N -1 0 302.736 4.345 20 10 DICDRM CSc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000756795071 1046136914 /nfs/dbraw/zinc/13/69/14/1046136914.db2.gz GLYYFEJPJUDZMH-SNVBAGLBSA-N -1 0 304.371 4.195 20 10 DICDRM CCOc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c(C)c1 ZINC000756795060 1046137478 /nfs/dbraw/zinc/13/74/78/1046137478.db2.gz GCCVZAKDGZQCLW-GFCCVEGCSA-N -1 0 316.357 4.181 20 10 DICDRM COc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])nc1 ZINC000756846707 1046141669 /nfs/dbraw/zinc/14/16/69/1046141669.db2.gz XEXZPZCQUIACJF-MRVPVSSYSA-N -1 0 313.184 4.276 20 10 DICDRM C[C@@H](Nc1cc(F)cc(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756872801 1046147097 /nfs/dbraw/zinc/14/70/97/1046147097.db2.gz WKBNKNSOONBADI-MRVPVSSYSA-N -1 0 310.712 4.266 20 10 DICDRM Cc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c2cccnc12 ZINC000756869299 1046147892 /nfs/dbraw/zinc/14/78/92/1046147892.db2.gz QVNNEDMLLYHZDX-LBPRGKRZSA-N -1 0 323.352 4.330 20 10 DICDRM CSCc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000757600897 1046191613 /nfs/dbraw/zinc/19/16/13/1046191613.db2.gz USKCAPJFHGXCFL-NSHDSACASA-N -1 0 318.398 4.337 20 10 DICDRM C[C@@H](Nc1cccc2ccncc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757612943 1046193288 /nfs/dbraw/zinc/19/32/88/1046193288.db2.gz WMVSLFAHOARWEX-LLVKDONJSA-N -1 0 309.325 4.022 20 10 DICDRM CC1(C)CCNc2ccc(Nc3ccc(F)c(C(=O)[O-])c3)cc21 ZINC001160331713 1048034900 /nfs/dbraw/zinc/03/49/00/1048034900.db2.gz CKHRMILOXQHRRI-UHFFFAOYSA-N -1 0 314.360 4.361 20 10 DICDRM [O-]c1c(F)cc(Cl)cc1CN[C@@H](c1ccccc1)C(F)F ZINC001184461501 1048043708 /nfs/dbraw/zinc/04/37/08/1048043708.db2.gz BPDVPZIMFNFJNV-ZDUSSCGKSA-N -1 0 315.722 4.281 20 10 DICDRM CCc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000857507451 1049165740 /nfs/dbraw/zinc/16/57/40/1049165740.db2.gz GGWFJPUYFHQIJP-UHFFFAOYSA-N -1 0 324.207 4.191 20 10 DICDRM CC(C)Oc1ccc(N(C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001180872692 1049413165 /nfs/dbraw/zinc/41/31/65/1049413165.db2.gz FBJRSRLLURPGCQ-UHFFFAOYSA-N -1 0 307.340 4.094 20 10 DICDRM Cc1c(NCc2ccc(F)c(F)c2[O-])cccc1-c1ncco1 ZINC000864013150 1049617779 /nfs/dbraw/zinc/61/77/79/1049617779.db2.gz LOHYUXCKEBCIQX-UHFFFAOYSA-N -1 0 316.307 4.246 20 10 DICDRM CC(C)N(C)c1ccc(NCc2ccc(F)c(F)c2[O-])cc1F ZINC000864019992 1049626628 /nfs/dbraw/zinc/62/66/28/1049626628.db2.gz FPWULMVEZBCJIE-UHFFFAOYSA-N -1 0 324.346 4.266 20 10 DICDRM CCCOc1cc(C)ccc1NCc1ccc(F)c(F)c1[O-] ZINC000864025718 1049628351 /nfs/dbraw/zinc/62/83/51/1049628351.db2.gz TUONUKIJYNFWIG-UHFFFAOYSA-N -1 0 307.340 4.380 20 10 DICDRM COc1ccc2cc(NCc3ccc(F)c(F)c3[O-])ccc2c1 ZINC000864037923 1049634130 /nfs/dbraw/zinc/63/41/30/1049634130.db2.gz ZFKQDOGANPHZNZ-UHFFFAOYSA-N -1 0 315.319 4.444 20 10 DICDRM CCCN(C)c1ccccc1NCc1ccc(F)c(F)c1[O-] ZINC000864040233 1049634387 /nfs/dbraw/zinc/63/43/87/1049634387.db2.gz DCEIZIKPENHEJA-UHFFFAOYSA-N -1 0 306.356 4.129 20 10 DICDRM COc1ccc(N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])cn1 ZINC000785568221 1050395161 /nfs/dbraw/zinc/39/51/61/1050395161.db2.gz UDBVRFVKVHFNEP-MRVPVSSYSA-N -1 0 313.184 4.276 20 10 DICDRM Nc1ccc(N(c2ccsc2C(=O)[O-])c2ccccc2)cc1 ZINC001215395272 1051186565 /nfs/dbraw/zinc/18/65/65/1051186565.db2.gz IIWJCSDWXNIDPR-UHFFFAOYSA-N -1 0 310.378 4.498 20 10 DICDRM Cc1c(NCc2ccc(N3CCCCC3)cc2)cccc1C(=O)[O-] ZINC000324166419 1051605087 /nfs/dbraw/zinc/60/50/87/1051605087.db2.gz DINKUKQYHNLEPC-UHFFFAOYSA-N -1 0 324.424 4.296 20 10 DICDRM CC[C@@H](Nc1cnn(C)c1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000806153822 1051756407 /nfs/dbraw/zinc/75/64/07/1051756407.db2.gz ABVGWLFFPDAPDB-GFCCVEGCSA-N -1 0 314.216 4.304 20 10 DICDRM [O-]c1c(Cl)cc(Cl)cc1CNc1ncnc2ccccc21 ZINC000806558196 1051818742 /nfs/dbraw/zinc/81/87/42/1051818742.db2.gz VOXBGNXNXXKZTA-UHFFFAOYSA-N -1 0 320.179 4.254 20 10 DICDRM [O-]c1c(Cl)cc(Cl)cc1CNc1nccc2occc21 ZINC000808089102 1051976601 /nfs/dbraw/zinc/97/66/01/1051976601.db2.gz HMTZANRZBVZWJM-UHFFFAOYSA-N -1 0 309.152 4.452 20 10 DICDRM [O-]c1c(Cl)cc(Cl)cc1CNc1nccnc1C(F)F ZINC001342865707 1054431508 /nfs/dbraw/zinc/43/15/08/1054431508.db2.gz RFBYBQROYVQFRO-UHFFFAOYSA-N -1 0 320.126 4.039 20 10 DICDRM CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[C@H](C(C)(C)C)CC1 ZINC001234476881 1054530402 /nfs/dbraw/zinc/53/04/02/1054530402.db2.gz PHAKNFCUVQBPDM-JOCQHMNTSA-N -1 0 306.402 4.284 20 10 DICDRM CCC[C@H](Oc1cc(O)c(O)cc1C(C)=O)c1ccccc1 ZINC001234477120 1054530492 /nfs/dbraw/zinc/53/04/92/1054530492.db2.gz RLRHYKWCBGWFPM-KRWDZBQOSA-N -1 0 300.354 4.221 20 10 DICDRM [O-]c1c(F)c(F)ccc1CNc1cccc(Br)c1 ZINC000703273141 1057333382 /nfs/dbraw/zinc/33/33/82/1057333382.db2.gz GPRMAESLWSHDLK-UHFFFAOYSA-N -1 0 314.129 4.045 20 10 DICDRM CC(C)(C)C[C@@H](NCc1ccc(F)c(F)c1[O-])C(F)(F)F ZINC001560711260 1060566851 /nfs/dbraw/zinc/56/68/51/1060566851.db2.gz GYMSLDBURZAGTM-SNVBAGLBSA-N -1 0 311.294 4.127 20 10 DICDRM COc1ccc2c(c1)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001462305526 1061094394 /nfs/dbraw/zinc/09/43/94/1061094394.db2.gz LQGIKIIOZFNZPW-UHFFFAOYSA-N -1 0 319.351 4.022 20 10 DICDRM CCCCCc1ccc(NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001457522034 1061466599 /nfs/dbraw/zinc/46/65/99/1061466599.db2.gz SYAUPOWNWULCAT-UHFFFAOYSA-N -1 0 317.360 4.222 20 10 DICDRM Cn1cnc2cc(NCc3cc(Cl)cc(Cl)c3[O-])ccc21 ZINC001474050853 1061598585 /nfs/dbraw/zinc/59/85/85/1061598585.db2.gz XBKOYOZQYVTIOX-UHFFFAOYSA-N -1 0 322.195 4.198 20 10 DICDRM CCc1ccc(-c2nnc(-c3cc(O)c([O-])c(Cl)c3)o2)cc1 ZINC001253026040 1061787983 /nfs/dbraw/zinc/78/79/83/1061787983.db2.gz CWCMWDSRHPKDNJ-UHFFFAOYSA-N -1 0 316.744 4.031 20 10 DICDRM [O-]c1c(F)cc(F)cc1CN(Cc1ccco1)Cc1ccco1 ZINC001474405402 1062066918 /nfs/dbraw/zinc/06/69/18/1062066918.db2.gz WBZXWAKZTXKOLD-UHFFFAOYSA-N -1 0 319.307 4.059 20 10 DICDRM [O-]c1c(O)cc(-c2nnc(CCC3CCCCC3)o2)cc1Cl ZINC001256854142 1063015814 /nfs/dbraw/zinc/01/58/14/1063015814.db2.gz BSSMGONOILAJJU-UHFFFAOYSA-N -1 0 322.792 4.314 20 10 DICDRM C/C(=C\C(C)(C)C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813685163 1041726814 /nfs/dbraw/zinc/72/68/14/1041726814.db2.gz CJRNJQDDZKTCOP-VQHVLOKHSA-N -1 0 316.228 4.308 20 10 DICDRM Oc1c(Br)cccc1CNc1cccc(C2CC2)n1 ZINC000815143390 1041925611 /nfs/dbraw/zinc/92/56/11/1041925611.db2.gz JZIACCBHKFQRMC-UHFFFAOYSA-N -1 0 319.202 4.039 20 10 DICDRM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])[C@@H]1c1ccncc1 ZINC000816622081 1042074625 /nfs/dbraw/zinc/07/46/25/1042074625.db2.gz WRFVYQQCEQEKPU-MRXNPFEDSA-N -1 0 320.795 4.163 20 10 DICDRM CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])[C@H]1c1ccncc1 ZINC000816622080 1042074909 /nfs/dbraw/zinc/07/49/09/1042074909.db2.gz WRFVYQQCEQEKPU-INIZCTEOSA-N -1 0 320.795 4.163 20 10 DICDRM CCc1nn(C)cc1N[C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756875308 1042148179 /nfs/dbraw/zinc/14/81/79/1042148179.db2.gz WEEXLPCIFNWUFI-MRVPVSSYSA-N -1 0 314.216 4.168 20 10 DICDRM CCn1ncc(N[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])c1C ZINC000872136080 1043477859 /nfs/dbraw/zinc/47/78/59/1043477859.db2.gz CBSGQIBXOIXZRY-QMMMGPOBSA-N -1 0 314.216 4.397 20 10 DICDRM C[C@H](Nc1ccc([C@@H]2CCOC2)cc1)c1ccc(F)c(F)c1[O-] ZINC000295012927 1044480784 /nfs/dbraw/zinc/48/07/84/1044480784.db2.gz MYDFUAWGPVAKEV-WCQYABFASA-N -1 0 319.351 4.347 20 10 DICDRM C[C@H](Nc1ccccc1OCCF)c1ccc(F)c(F)c1[O-] ZINC000296245595 1044601676 /nfs/dbraw/zinc/60/16/76/1044601676.db2.gz AYYSTGZNNAZCAE-JTQLQIEISA-N -1 0 311.303 4.192 20 10 DICDRM [O-]c1c(Cl)cc(Cl)cc1CNc1nnc(C2CC2)s1 ZINC000777507808 1045158625 /nfs/dbraw/zinc/15/86/25/1045158625.db2.gz TYVQDKKOHNAHIV-UHFFFAOYSA-N -1 0 316.213 4.040 20 10 DICDRM CSc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756797232 1046137394 /nfs/dbraw/zinc/13/73/94/1046137394.db2.gz PRYILGVXSRUHNJ-JTQLQIEISA-N -1 0 304.371 4.195 20 10 DICDRM C[C@H](Nc1ccc(F)c(Cl)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756865196 1046145599 /nfs/dbraw/zinc/14/55/99/1046145599.db2.gz PCFHAOYLFWZLTJ-QMMMGPOBSA-N -1 0 310.712 4.266 20 10 DICDRM CCOc1cc(C)ccc1N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756884308 1046149492 /nfs/dbraw/zinc/14/94/92/1046149492.db2.gz MMMHOXBEEJYQGN-LBPRGKRZSA-N -1 0 316.357 4.181 20 10 DICDRM CCOc1cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1C ZINC000757585726 1046189098 /nfs/dbraw/zinc/18/90/98/1046189098.db2.gz ASJPDVHRQPWXED-LBPRGKRZSA-N -1 0 316.357 4.181 20 10 DICDRM C[C@H](Nc1ccc(F)c(C2CC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000798939366 1046990532 /nfs/dbraw/zinc/99/05/32/1046990532.db2.gz MEBOIJABBLLOCG-JTQLQIEISA-N -1 0 316.332 4.490 20 10 DICDRM COc1ccc(N[C@@H](C)c2ccc(Cl)cc2O)c(OC)c1 ZINC000841748133 1047448541 /nfs/dbraw/zinc/44/85/41/1047448541.db2.gz HKJODZWADFWZKY-JTQLQIEISA-N -1 0 307.777 4.236 20 10 DICDRM [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001203574491 1047957154 /nfs/dbraw/zinc/95/71/54/1047957154.db2.gz YIQSSALGEKZWIG-KCJUWKMLSA-N -1 0 322.182 4.176 20 10 DICDRM COc1cc(NCc2c(O)ccc(Cl)c2F)c(C)cc1C ZINC001202134299 1048458991 /nfs/dbraw/zinc/45/89/91/1048458991.db2.gz DYXFAEZZSGXYAV-UHFFFAOYSA-N -1 0 309.768 4.422 20 10 DICDRM C[C@@H]1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1(F)F ZINC001203574283 1048932925 /nfs/dbraw/zinc/93/29/25/1048932925.db2.gz SLRHZFLTLOUBAV-MRVPVSSYSA-N -1 0 310.171 4.176 20 10 DICDRM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc(O)c([O-])c(Cl)c1 ZINC001193625167 1049232718 /nfs/dbraw/zinc/23/27/18/1049232718.db2.gz NLSRCUPCPKLQFP-UHFFFAOYSA-N -1 0 321.735 4.020 20 10 DICDRM [O-]c1c(CNc2cccc(N3CCCCC3)c2)ccc(F)c1F ZINC000864020703 1049626090 /nfs/dbraw/zinc/62/60/90/1049626090.db2.gz SONDDYFNGZOYHC-UHFFFAOYSA-N -1 0 318.367 4.273 20 10 DICDRM CC(C)OCc1ccc(NCc2ccc(F)c(F)c2[O-])cc1 ZINC000864020522 1049626435 /nfs/dbraw/zinc/62/64/35/1049626435.db2.gz FHFWCELPEVRKDV-UHFFFAOYSA-N -1 0 307.340 4.208 20 10 DICDRM Cc1ccc2cccc(NCc3ccc(F)c(F)c3[O-])c2n1 ZINC000864024772 1049628452 /nfs/dbraw/zinc/62/84/52/1049628452.db2.gz BMHZXXDJHWMUTK-UHFFFAOYSA-N -1 0 300.308 4.139 20 10 DICDRM CC(C)N(C)c1cccc(NCc2ccc(F)c(F)c2[O-])c1 ZINC000864027527 1049630163 /nfs/dbraw/zinc/63/01/63/1049630163.db2.gz BWHQPODDHTZFLD-UHFFFAOYSA-N -1 0 306.356 4.127 20 10 DICDRM Cc1ccc(NCc2ccc(F)c(F)c2[O-])cc1OC(C)C ZINC000864034746 1049632923 /nfs/dbraw/zinc/63/29/23/1049632923.db2.gz YLVPSMOOVGTDDF-UHFFFAOYSA-N -1 0 307.340 4.378 20 10 DICDRM [O-]c1c(CNc2ccc3c(c2)[C@@H](O)CCCC3)ccc(F)c1F ZINC000864041551 1049635526 /nfs/dbraw/zinc/63/55/26/1049635526.db2.gz QLLXWJBRGFAXSO-INIZCTEOSA-N -1 0 319.351 4.042 20 10 DICDRM CCCOc1ccc(NCc2ccc(F)c(F)c2[O-])cc1C ZINC000864042017 1049636129 /nfs/dbraw/zinc/63/61/29/1049636129.db2.gz ZDHYXIKNAYEQIH-UHFFFAOYSA-N -1 0 307.340 4.380 20 10 DICDRM O=C(c1ccncc1)c1ccccc1Nc1cccc([S-])c1 ZINC001210949685 1050429456 /nfs/dbraw/zinc/42/94/56/1050429456.db2.gz LRMAIAIHMXJISJ-UHFFFAOYSA-N -1 0 306.390 4.345 20 10 DICDRM CC[C@H](Nc1cc(COC)ccn1)c1cccc(Cl)c1O ZINC000846214140 1050703748 /nfs/dbraw/zinc/70/37/48/1050703748.db2.gz XFWPOORSELDCEZ-AWEZNQCLSA-N -1 0 306.793 4.150 20 10 DICDRM Cc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1C(=O)[O-] ZINC000789903125 1050895872 /nfs/dbraw/zinc/89/58/72/1050895872.db2.gz UVHHOXYUZQETJZ-UHFFFAOYSA-N -1 0 324.424 4.296 20 10 DICDRM [O-]c1ccc(Cl)c(F)c1CN1CC[C@H]1c1cccc(F)c1 ZINC000792170263 1051123740 /nfs/dbraw/zinc/12/37/40/1051123740.db2.gz QTDCBYMWSLFZCL-AWEZNQCLSA-N -1 0 309.743 4.271 20 10 DICDRM CCC[C@@H](CC)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] 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C[C@@H](Nc1cnn(CCF)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000858491412 1049262984 /nfs/dbraw/zinc/26/29/84/1049262984.db2.gz HDZNNNRZZICKAY-MRVPVSSYSA-N -1 0 318.179 4.038 20 10 DICDRM [O-]c1c(CNc2ccc(N3CCCCC3)cc2)ccc(F)c1F ZINC000864018835 1049624918 /nfs/dbraw/zinc/62/49/18/1049624918.db2.gz YTPLOJUUALLGBB-UHFFFAOYSA-N -1 0 318.367 4.273 20 10 DICDRM COc1ccc(NCc2ccc(F)c(F)c2[O-])c2ccccc12 ZINC000864041341 1049634913 /nfs/dbraw/zinc/63/49/13/1049634913.db2.gz NWSLYJMAZNIKDF-UHFFFAOYSA-N -1 0 315.319 4.444 20 10 DICDRM [O-]c1c(F)cc(Cl)cc1CN1CC[C@H]1c1cccc(F)c1 ZINC000775723603 1049667126 /nfs/dbraw/zinc/66/71/26/1049667126.db2.gz CBLUATPLUHKTNC-HNNXBMFYSA-N -1 0 309.743 4.271 20 10 DICDRM Nc1ccc(N(c2ccccc2)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210398496 1050233849 /nfs/dbraw/zinc/23/38/49/1050233849.db2.gz KWXJOEWMDKZRTL-UHFFFAOYSA-N -1 0 321.336 4.352 20 10 DICDRM Cc1cc(C)c(C(=O)[O-])cc1NCc1c(O)ccc(Cl)c1F ZINC000789902376 1050895598 /nfs/dbraw/zinc/89/55/98/1050895598.db2.gz 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CC(=O)c1cc(O)c(O)cc1O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001234476733 1054529751 /nfs/dbraw/zinc/52/97/51/1054529751.db2.gz ORYRZKUCBHEAGT-MGPQQGTHSA-N -1 0 304.386 4.038 20 10 DICDRM CCN(Cc1ccccc1F)Cc1c(O)cc(OC)cc1Cl ZINC001236804508 1055269327 /nfs/dbraw/zinc/26/93/27/1055269327.db2.gz VRNHTAKUBHKUTN-UHFFFAOYSA-N -1 0 323.795 4.215 20 10 DICDRM Cc1ccc(C)n1-c1ccc(-c2cc([O-])c(F)c(F)c2F)cn1 ZINC001245637052 1058304405 /nfs/dbraw/zinc/30/44/05/1058304405.db2.gz JLBCYYKZTWFWLJ-UHFFFAOYSA-N -1 0 318.298 4.279 20 10 DICDRM C[C@@H]1c2cc(F)cc(F)c2CCN1Cc1cccc(Cl)c1[O-] ZINC001560671465 1060499344 /nfs/dbraw/zinc/49/93/44/1060499344.db2.gz ZOLDKLSXLDRKJB-SNVBAGLBSA-N -1 0 323.770 4.443 20 10 DICDRM CC(C)(C)C[C@@H](NCc1cc(F)cc(F)c1[O-])C(F)(F)F ZINC001474092571 1061640517 /nfs/dbraw/zinc/64/05/17/1061640517.db2.gz JUHNTCAQBHJUQX-LLVKDONJSA-N -1 0 311.294 4.127 20 10 DICDRM CN(C)c1cc(NCc2ccc(F)c(F)c2[O-])ccc1Cl ZINC001474718243 1062442161 /nfs/dbraw/zinc/44/21/61/1062442161.db2.gz 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CC1(C)CN(Cc2cc(Cl)cc(F)c2[O-])[C@H]1c1cccnc1 ZINC000814170949 1041783368 /nfs/dbraw/zinc/78/33/68/1041783368.db2.gz HBOYXJPJADXTGA-INIZCTEOSA-N -1 0 320.795 4.163 20 10 DICDRM CC1(C)CC(CC(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000816682010 1042077330 /nfs/dbraw/zinc/07/73/30/1042077330.db2.gz MLSOEVZPUQJKLP-UHFFFAOYSA-N -1 0 316.228 4.142 20 10 DICDRM O=C([O-])c1cc(Cl)c(Nc2ccc3c(c2)CCN3)c(Cl)c1 ZINC001159522328 1042078668 /nfs/dbraw/zinc/07/86/68/1042078668.db2.gz GOOQNPAYWOSZQO-UHFFFAOYSA-N -1 0 323.179 4.403 20 10 DICDRM CCc1c(N[C@@H](C)c2ccc(F)cc2O)cnn1CC(C)C ZINC000756855941 1042131695 /nfs/dbraw/zinc/13/16/95/1042131695.db2.gz OWGSPWVVDRPWFQ-LBPRGKRZSA-N -1 0 305.397 4.119 20 10 DICDRM Cc1c(N[C@@H](C)c2ccc(F)c(F)c2[O-])cnn1C1CCCC1 ZINC000193383734 1043284360 /nfs/dbraw/zinc/28/43/60/1043284360.db2.gz GPEMEMUCKYUIIV-JTQLQIEISA-N -1 0 321.371 4.464 20 10 DICDRM Cc1c(N[C@H](C)c2ccc(F)c(F)c2[O-])cnn1C1CCCC1 ZINC000193383746 1043284767 /nfs/dbraw/zinc/28/47/67/1043284767.db2.gz GPEMEMUCKYUIIV-SNVBAGLBSA-N -1 0 321.371 4.464 20 10 DICDRM [O-]c1c(Cl)cccc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1F ZINC000895690192 1043732406 /nfs/dbraw/zinc/73/24/06/1043732406.db2.gz BOMBXADVQNAWEU-HZPDHXFCSA-N -1 0 305.780 4.161 20 10 DICDRM [O-]c1c(Cl)cccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1F ZINC000895690190 1043732609 /nfs/dbraw/zinc/73/26/09/1043732609.db2.gz BOMBXADVQNAWEU-CVEARBPZSA-N -1 0 305.780 4.161 20 10 DICDRM CCN(Cc1cc(Cl)cc(Cl)c1[O-])CC(F)(F)F ZINC000132514389 1044326973 /nfs/dbraw/zinc/32/69/73/1044326973.db2.gz FZYPOHBSENBSCL-UHFFFAOYSA-N -1 0 302.123 4.083 20 10 DICDRM CCC(=O)Nc1ccc(C)c(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000320569057 1044378797 /nfs/dbraw/zinc/37/87/97/1044378797.db2.gz PSXGDLXJDSYMIP-GFCCVEGCSA-N -1 0 316.376 4.361 20 10 DICDRM CC(C)c1nnc(NCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000777511097 1045162184 /nfs/dbraw/zinc/16/21/84/1045162184.db2.gz AZVBLFTWLXRUBD-UHFFFAOYSA-N -1 0 318.229 4.286 20 10 DICDRM CCOc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1F ZINC000756812825 1046139014 /nfs/dbraw/zinc/13/90/14/1046139014.db2.gz AOVVYGREAICHHX-JTQLQIEISA-N -1 0 320.320 4.011 20 10 DICDRM C[C@@]1(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC=CCC1 ZINC000832712527 1046378830 /nfs/dbraw/zinc/37/88/30/1046378830.db2.gz GJKWZLZZKDJPSK-OAHLLOKOSA-N -1 0 314.212 4.062 20 10 DICDRM Nc1ccc(N(c2ccc(C(=O)[O-])s2)c2ccccc2)cc1 ZINC001174808067 1047990744 /nfs/dbraw/zinc/99/07/44/1047990744.db2.gz RADAPKACGJHJOT-UHFFFAOYSA-N -1 0 310.378 4.498 20 10 DICDRM [O-]c1c(Cl)cc(Cl)cc1CN1Cc2cccc(F)c2C1 ZINC001203580936 1048934613 /nfs/dbraw/zinc/93/46/13/1048934613.db2.gz XDZHLAANBUXYEB-UHFFFAOYSA-N -1 0 312.171 4.354 20 10 DICDRM COc1ccc2c(c1)CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001203579865 1048935371 /nfs/dbraw/zinc/93/53/71/1048935371.db2.gz GMJVFRSUAHJUKN-UHFFFAOYSA-N -1 0 324.207 4.223 20 10 DICDRM Cc1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)c1 ZINC000864017662 1049623041 /nfs/dbraw/zinc/62/30/41/1049623041.db2.gz AMNXSMRGWVLCIG-UHFFFAOYSA-N -1 0 306.749 4.183 20 10 DICDRM [O-]c1c(CNc2cccc(OC(F)(F)F)c2)ccc(F)c1F ZINC000864019725 1049624961 /nfs/dbraw/zinc/62/49/61/1049624961.db2.gz OCGBBTLDVSPHLG-UHFFFAOYSA-N -1 0 319.229 4.181 20 10 DICDRM [O-]c1c(CNc2ccc(OC(F)(F)F)cc2)ccc(F)c1F ZINC000864018533 1049625083 /nfs/dbraw/zinc/62/50/83/1049625083.db2.gz JOSJEBYCMNUILS-UHFFFAOYSA-N -1 0 319.229 4.181 20 10 DICDRM [O-]c1c(CNc2ccc(F)cc2OCC2CC2)ccc(F)c1F ZINC000864022714 1049627488 /nfs/dbraw/zinc/62/74/88/1049627488.db2.gz MLHQXXIRXFEREI-UHFFFAOYSA-N -1 0 323.314 4.210 20 10 DICDRM [O-]c1c(CNc2cccc(CC(F)(F)F)c2)ccc(F)c1F ZINC000864029473 1049631520 /nfs/dbraw/zinc/63/15/20/1049631520.db2.gz QETKXKZCSBRGCY-UHFFFAOYSA-N -1 0 317.257 4.387 20 10 DICDRM CCc1nc2ccc(NCc3ccc(F)c(F)c3[O-])cc2s1 ZINC000864040314 1049634403 /nfs/dbraw/zinc/63/44/03/1049634403.db2.gz QZOVYSFNGDATSY-UHFFFAOYSA-N -1 0 320.364 4.455 20 10 DICDRM CCCOc1ccc(NCc2ccc(F)c(F)c2[O-])cc1OC ZINC000864042576 1049635590 /nfs/dbraw/zinc/63/55/90/1049635590.db2.gz UBDKYONTVKAFJV-UHFFFAOYSA-N -1 0 323.339 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ZINC000864020555 1049626593 /nfs/dbraw/zinc/62/65/93/1049626593.db2.gz ICSHBDLWLRHFDM-NSHDSACASA-N -1 0 307.340 4.460 20 10 DICDRM COc1ccc(NCc2ccc(F)c(F)c2[O-])cc1OC(C)C ZINC000864034009 1049632942 /nfs/dbraw/zinc/63/29/42/1049632942.db2.gz QQCMFDOLAYLGGT-UHFFFAOYSA-N -1 0 323.339 4.078 20 10 DICDRM CC1(C)CCN(Cc2ccc(F)c(F)c2[O-])c2ccccc21 ZINC001206078378 1049649128 /nfs/dbraw/zinc/64/91/28/1049649128.db2.gz VGKSLGVYGGIUEH-UHFFFAOYSA-N -1 0 303.352 4.358 20 10 DICDRM Cc1cc(O)c(CNCC(F)(F)c2ccccc2)cc1Cl ZINC001206127912 1049660627 /nfs/dbraw/zinc/66/06/27/1049660627.db2.gz NCGVEQGPAUNEFF-UHFFFAOYSA-N -1 0 311.759 4.236 20 10 DICDRM C[C@H]1CN(Cc2cccc(Cl)c2[O-])[C@H](c2ccccc2)CO1 ZINC000775718820 1049661126 /nfs/dbraw/zinc/66/11/26/1049661126.db2.gz PYOPQWJDYIMSIG-GUYCJALGSA-N -1 0 317.816 4.008 20 10 DICDRM [O-]c1c(F)cc(Cl)cc1CN(CC(F)F)CC1CCC1 ZINC000775735994 1049681699 /nfs/dbraw/zinc/68/16/99/1049681699.db2.gz IJZKXJKCEVJXNV-UHFFFAOYSA-N -1 0 307.743 4.052 20 10 DICDRM Cc1cccc(C(=O)Nc2cccc(N3CCCCCC3)c2)c1O ZINC001136848287 1050195129 /nfs/dbraw/zinc/19/51/29/1050195129.db2.gz CGSQXWCBSUDKDK-UHFFFAOYSA-N -1 0 324.424 4.333 20 10 DICDRM COc1cc(C)cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000786953551 1050528177 /nfs/dbraw/zinc/52/81/77/1050528177.db2.gz ZMZKJAVQFGQGJI-LBPRGKRZSA-N -1 0 316.357 4.099 20 10 DICDRM O=[N+]([O-])c1ccccc1NCc1cc(Cl)cc(Cl)c1[O-] ZINC000037058992 1051109963 /nfs/dbraw/zinc/10/99/63/1051109963.db2.gz QDZNMPCJXICZLC-UHFFFAOYSA-N -1 0 313.140 4.219 20 10 DICDRM CC[C@H](N[C@@H](C1CC1)C(F)(F)F)c1cc(Cl)ccc1O ZINC000806662207 1051841711 /nfs/dbraw/zinc/84/17/11/1051841711.db2.gz KKYREOCCXQJISB-AAEUAGOBSA-N -1 0 307.743 4.427 20 10 DICDRM C[C@H]1CCC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000807835910 1051935992 /nfs/dbraw/zinc/93/59/92/1051935992.db2.gz BUROMJDNEZBLJW-UWVGGRQHSA-N -1 0 316.228 4.142 20 10 DICDRM C[C@@H]1CC/C(=C\C(=O)NCc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000807835915 1051936137 /nfs/dbraw/zinc/93/61/37/1051936137.db2.gz 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ZINC001474209148 1061763782 /nfs/dbraw/zinc/76/37/82/1061763782.db2.gz CGAVBVZWMBWSOM-UHFFFAOYSA-N -1 0 313.184 4.105 20 10 DICDRM CCC[C@H](CC)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC001468667015 1062369509 /nfs/dbraw/zinc/36/95/09/1062369509.db2.gz DOIMOEGSBXOXQD-VIFPVBQESA-N -1 0 304.217 4.142 20 10 DICDRM O=C(NCCC1=CCCCCC1)NCc1cccc(Cl)c1O ZINC001469725835 1062612464 /nfs/dbraw/zinc/61/24/64/1062612464.db2.gz CWYSDQYFLMHCAV-UHFFFAOYSA-N -1 0 322.836 4.125 20 10 DICDRM CCN(Cc1ccc(F)c(F)c1[O-])c1ccc2[nH]ccc2c1 ZINC001462111493 1063934742 /nfs/dbraw/zinc/93/47/42/1063934742.db2.gz LHDJCJGAHYIKBC-UHFFFAOYSA-N -1 0 302.324 4.178 20 10 DICDRM Cc1nc([C@H]2CCCN2Cc2cccc(Cl)c2[O-])cs1 ZINC000189937722 527082568 /nfs/dbraw/zinc/08/25/68/527082568.db2.gz KRFPXXRDEDCRLK-CQSZACIVSA-N -1 0 308.834 4.148 20 10 DICDRM Cc1cc(NCc2cc(Cl)cc(Cl)c2[O-])nn1C(C)C ZINC000817710051 1042123051 /nfs/dbraw/zinc/12/30/51/1042123051.db2.gz GCNPCHHDUCDHCQ-UHFFFAOYSA-N -1 0 314.216 4.397 20 10 DICDRM C[C@@H](Nc1ccc(OC(F)F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756794614 1046136791 /nfs/dbraw/zinc/13/67/91/1046136791.db2.gz JPYIWJXDVAJONL-SECBINFHSA-N -1 0 324.283 4.075 20 10 DICDRM COc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000756794395 1046137716 /nfs/dbraw/zinc/13/77/16/1046137716.db2.gz GMZQFONWTFGGMN-VIFPVBQESA-N -1 0 322.748 4.136 20 10 DICDRM CCCOc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000756854913 1046144118 /nfs/dbraw/zinc/14/41/18/1046144118.db2.gz BNPVROJTWSCEGB-GFCCVEGCSA-N -1 0 316.357 4.262 20 10 DICDRM COc1cccc([C@H]2CCC[N@@H+]2Cc2c([O-])cc(F)cc2F)c1 ZINC001140583638 1046793647 /nfs/dbraw/zinc/79/36/47/1046793647.db2.gz PHKSVSHUFXGZPL-QGZVFWFLSA-N -1 0 319.351 4.016 20 10 DICDRM CCC[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(C)C ZINC001141737746 1047283756 /nfs/dbraw/zinc/28/37/56/1047283756.db2.gz GZLVNJNNVJATRW-GFCCVEGCSA-N -1 0 318.244 4.388 20 10 DICDRM [O-]c1c(F)c(F)ccc1C[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001206663937 1047768084 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ZINC000864041229 1049634311 /nfs/dbraw/zinc/63/43/11/1049634311.db2.gz LFILVKLPNBJSOB-UHFFFAOYSA-N -1 0 313.731 4.253 20 10 DICDRM [O-]c1c(Cl)cccc1CN(Cc1ccccc1)CC(F)F ZINC000775726661 1049673920 /nfs/dbraw/zinc/67/39/20/1049673920.db2.gz ZTXFIXWPZIYRSR-UHFFFAOYSA-N -1 0 311.759 4.313 20 10 DICDRM Cc1ncoc1-c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001207610923 1049917347 /nfs/dbraw/zinc/91/73/47/1049917347.db2.gz DYPUJJKUXDUDRD-UHFFFAOYSA-N -1 0 316.307 4.246 20 10 DICDRM Nc1ccc(N(c2ccccc2)c2cccc(CC(=O)[O-])c2)cc1 ZINC001210073381 1050133154 /nfs/dbraw/zinc/13/31/54/1050133154.db2.gz NXNCAKDAMVJMML-UHFFFAOYSA-N -1 0 318.376 4.366 20 10 DICDRM COc1cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000788609439 1050706568 /nfs/dbraw/zinc/70/65/68/1050706568.db2.gz DJMYNCFMDMOHRZ-VIFPVBQESA-N -1 0 322.748 4.136 20 10 DICDRM Nc1ccc(Cc2ccccc2Nc2ccsc2C(=O)[O-])cc1 ZINC001215395010 1051186631 /nfs/dbraw/zinc/18/66/31/1051186631.db2.gz FIVLCGHEYHEVMG-UHFFFAOYSA-N -1 0 324.405 4.363 20 10 DICDRM CSc1cccc(NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000804609638 1051488432 /nfs/dbraw/zinc/48/84/32/1051488432.db2.gz FWSNWSYQVHSWEG-UHFFFAOYSA-N -1 0 315.225 4.428 20 10 DICDRM O=C(NCc1cc(Cl)cc(Cl)c1[O-])Nc1ccccc1 ZINC000806085495 1051729502 /nfs/dbraw/zinc/72/95/02/1051729502.db2.gz QPZWDKJNCRHWEE-UHFFFAOYSA-N -1 0 311.168 4.021 20 10 DICDRM CC[C@H](N[C@H](C1CC1)C(F)(F)F)c1cccc(Cl)c1[O-] ZINC000806663245 1051843528 /nfs/dbraw/zinc/84/35/28/1051843528.db2.gz VFSHOWMUEYIWCO-WCQYABFASA-N -1 0 307.743 4.427 20 10 DICDRM CCc1cccc(-c2noc(-c3ccc(O)c(O)c3Cl)n2)c1 ZINC001216951577 1051914698 /nfs/dbraw/zinc/91/46/98/1051914698.db2.gz HGLQWDMTGJEXLJ-UHFFFAOYSA-N -1 0 316.744 4.031 20 10 DICDRM CCCC[C@@H](C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807839939 1051935170 /nfs/dbraw/zinc/93/51/70/1051935170.db2.gz NGNDZWJCVHMGDV-SECBINFHSA-N -1 0 304.217 4.142 20 10 DICDRM CC(C)CC(C)(C)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807836653 1051936404 /nfs/dbraw/zinc/93/64/04/1051936404.db2.gz JABUMOMRXREXGD-UHFFFAOYSA-N -1 0 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