smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)Nc1cc(-c2ccc(C(=O)[O-])o2)ccc1Cl ZINC000226352301 201776053 /nfs/dbraw/zinc/77/60/53/201776053.db2.gz SMIVLFGYZHOMEN-UHFFFAOYSA-N -1 0 307.733 4.037 40 0 DIABRM Cc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(C(=O)[O-])o1 ZINC000226355891 201778050 /nfs/dbraw/zinc/77/80/50/201778050.db2.gz GJVWEILSWWUEIV-UHFFFAOYSA-N -1 0 321.332 4.206 40 0 DIABRM Cc1cccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)[O-])c3o2)c1 ZINC000001620492 180879920 /nfs/dbraw/zinc/87/99/20/180879920.db2.gz CJLZYURNBMGIRN-UHFFFAOYSA-N -1 0 308.333 4.083 40 0 DIABRM O=C([O-])CCC1=NN(c2ccccc2)[C@H](CCc2ccccc2)C1 ZINC000003845491 181048645 /nfs/dbraw/zinc/04/86/45/181048645.db2.gz ANRGJEWSEBYCRS-LJQANCHMSA-N -1 0 322.408 4.119 40 0 DIABRM C[C@@H]1c2ccccc2[C@@H](C)C[C@@H]2c3cccc(C(=O)[O-])c3C(=O)N21 ZINC000004044397 181066925 /nfs/dbraw/zinc/06/69/25/181066925.db2.gz KOXAUIJMWHCIOC-XWCIJXRUSA-N -1 0 321.376 4.150 40 0 DIABRM O=C([O-])CCc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000216925248 201502959 /nfs/dbraw/zinc/50/29/59/201502959.db2.gz FRUOXSCUYXXHBX-UHFFFAOYSA-N -1 0 308.736 4.075 40 0 DIABRM Cc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)[O-])c(C)c1 ZINC000225025366 201682880 /nfs/dbraw/zinc/68/28/80/201682880.db2.gz ZRLSHXXWMGEVRC-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1ccc(C[C@H](Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC000225020115 201683158 /nfs/dbraw/zinc/68/31/58/201683158.db2.gz QMENRYJAAMFFHE-SFHVURJKSA-N -1 0 312.409 4.367 40 0 DIABRM Cc1ccc(C)c(C[C@@H](Oc2cc(C)cc(C)c2C)C(=O)[O-])c1 ZINC000225028980 201683369 /nfs/dbraw/zinc/68/33/69/201683369.db2.gz ZARVYYAPOFMVFR-LJQANCHMSA-N -1 0 312.409 4.303 40 0 DIABRM CCc1ccccc1C[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000225040186 201683617 /nfs/dbraw/zinc/68/36/17/201683617.db2.gz YAPPGSASMLCBLF-QGZVFWFLSA-N -1 0 318.800 4.286 40 0 DIABRM Cc1ccc(S[C@@H](Cc2ccc(C)c(C)c2)C(=O)[O-])cc1 ZINC000225034988 201683998 /nfs/dbraw/zinc/68/39/98/201683998.db2.gz BCUQPPASHNMWMF-KRWDZBQOSA-N -1 0 300.423 4.400 40 0 DIABRM O=C([O-])[C@@H](Cc1cccc2ccccc21)OCc1ccccc1 ZINC000225050118 201684133 /nfs/dbraw/zinc/68/41/33/201684133.db2.gz XJNLWYOCXYUWDY-LJQANCHMSA-N -1 0 306.361 4.052 40 0 DIABRM O=C([O-])[C@H](Cc1ccc(F)cc1)Sc1ccc(Cl)cc1 ZINC000225055150 201684953 /nfs/dbraw/zinc/68/49/53/201684953.db2.gz UTCBSOZODAJYOG-AWEZNQCLSA-N -1 0 310.777 4.267 40 0 DIABRM Cc1ccc(C[C@@H](Oc2ccccc2C)C(=O)[O-])cc1Cl ZINC000225079179 201685708 /nfs/dbraw/zinc/68/57/08/201685708.db2.gz FGKAFLZVXZZIAD-MRXNPFEDSA-N -1 0 304.773 4.032 40 0 DIABRM CCCCO[C@H](Cc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000225111326 201686724 /nfs/dbraw/zinc/68/67/24/201686724.db2.gz XUUIGDZTHOXSTI-GOSISDBHSA-N -1 0 314.381 4.291 40 0 DIABRM CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(C(=O)[O-])ccc1OC2(C)C ZINC000257341006 203062650 /nfs/dbraw/zinc/06/26/50/203062650.db2.gz ZILIJFYRTUFPSA-XPKDYRNWSA-N -1 0 304.386 4.192 40 0 DIABRM O=C([O-])c1ccccc1[C@H](c1ccccc1)c1ccccc1O ZINC000008613264 181569194 /nfs/dbraw/zinc/56/91/94/181569194.db2.gz DBXWCEYPSAOCII-IBGZPJMESA-N -1 0 304.345 4.271 40 0 DIABRM C[C@]1(C(=O)[O-])CCC[C@]2(C)[C@H]1CC[C@]13C[C@@H](CO)[C@H](C1)CC[C@@H]32 ZINC000008618858 181569383 /nfs/dbraw/zinc/56/93/83/181569383.db2.gz HHAMKMUMKLXDFQ-VNFRBCGJSA-N -1 0 320.473 4.092 40 0 DIABRM CCC[C@@H](C)C(=O)Nc1ccccc1SCCCC(=O)[O-] ZINC000008732902 181580518 /nfs/dbraw/zinc/58/05/18/181580518.db2.gz BNJHYOVZQQCGMI-GFCCVEGCSA-N -1 0 309.431 4.018 40 0 DIABRM Cc1cccc(-n2nc(C(=O)[O-])cc2-c2ccc(C)c(C)c2)c1 ZINC000011801698 181706808 /nfs/dbraw/zinc/70/68/08/181706808.db2.gz AUOLGYRTLLDMTA-UHFFFAOYSA-N -1 0 306.365 4.163 40 0 DIABRM Cc1ccc(CSc2nnc(-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000016777201 182059850 /nfs/dbraw/zinc/05/98/50/182059850.db2.gz JVLVWARPDPBJOQ-UHFFFAOYSA-N -1 0 323.421 4.153 40 0 DIABRM O=C([O-])c1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020160477 182193776 /nfs/dbraw/zinc/19/37/76/182193776.db2.gz LZEGZKMPTVZWHW-UHFFFAOYSA-N -1 0 301.523 4.061 40 0 DIABRM O=C([O-])c1cc2c(C(F)(F)F)cc(-c3cccs3)[nH]c-2n1 ZINC000037593688 182912183 /nfs/dbraw/zinc/91/21/83/182912183.db2.gz XAEKDJIZRXCTRY-UHFFFAOYSA-N -1 0 312.272 4.008 40 0 DIABRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 ZINC000040895914 183147080 /nfs/dbraw/zinc/14/70/80/183147080.db2.gz LWTCEQHBTMPRBZ-CQSZACIVSA-N -1 0 311.164 4.068 40 0 DIABRM O=C([O-])c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000041528000 183197354 /nfs/dbraw/zinc/19/73/54/183197354.db2.gz CGKXESZZPSJSIG-UHFFFAOYSA-N -1 0 303.720 4.180 40 0 DIABRM COc1ccc2oc([N-]c3nc4ccc(C)cc4s3)nc2c1 ZINC000057352870 184035512 /nfs/dbraw/zinc/03/55/12/184035512.db2.gz OOCDMPYVDCKEQP-UHFFFAOYSA-N -1 0 311.366 4.498 40 0 DIABRM O=C([O-])c1ccc(NC(=O)c2ccc(C3CCCCC3)o2)cc1 ZINC000409205018 257220652 /nfs/dbraw/zinc/22/06/52/257220652.db2.gz NFBWZYWMSTZFEB-UHFFFAOYSA-N -1 0 313.353 4.278 40 0 DIABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000010775282 331521402 /nfs/dbraw/zinc/52/14/02/331521402.db2.gz ANNYPADUJCZXEF-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM Cc1c(NC(=O)c2cc(Cl)ccc2Cl)cccc1C(=O)[O-] ZINC000020138403 333308071 /nfs/dbraw/zinc/30/80/71/333308071.db2.gz MTUQUZMEBHVKBC-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM CCC[C@@H](C(=O)[O-])N1c2c(OC)cccc2[C@H](C)CC1(C)C ZINC000260616338 333424935 /nfs/dbraw/zinc/42/49/35/333424935.db2.gz ISWPTTUXTGXZAD-OCCSQVGLSA-N -1 0 305.418 4.041 40 0 DIABRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(Cl)c1 ZINC000006922561 563638704 /nfs/dbraw/zinc/63/87/04/563638704.db2.gz MHIHHWZUNDDNPS-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM CCC[C@H](Sc1ccccc1NC(=O)[C@H](C)CC)C(=O)[O-] ZINC000008732876 563644128 /nfs/dbraw/zinc/64/41/28/563644128.db2.gz DVZFLLLAPXEAKB-RISCZKNCSA-N -1 0 309.431 4.017 40 0 DIABRM CCCCCC(=O)Nc1ccccc1SCCCC(=O)[O-] ZINC000008732881 563644300 /nfs/dbraw/zinc/64/43/00/563644300.db2.gz UNZTVBHXLVGQTI-UHFFFAOYSA-N -1 0 309.431 4.162 40 0 DIABRM CCc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)c1C(=O)[O-] ZINC000078405474 563513342 /nfs/dbraw/zinc/51/33/42/563513342.db2.gz VKXKESBOEWUONT-UHFFFAOYSA-N -1 0 312.196 4.412 40 0 DIABRM CS[C@H](C(=O)[O-])c1cc(-c2c(Cl)cccc2Cl)no1 ZINC000001611287 563287355 /nfs/dbraw/zinc/28/73/55/563287355.db2.gz UGASFHWHGCTSCA-NSHDSACASA-N -1 0 318.181 4.137 40 0 DIABRM O=C([O-])c1cc(-c2ccccc2)nc2onc(-c3ccccc3)c21 ZINC000036617503 563409742 /nfs/dbraw/zinc/40/97/42/563409742.db2.gz XPEJGVITUMJRBD-UHFFFAOYSA-N -1 0 316.316 4.255 40 0 DIABRM COc1cccc(CCCc2ccccc2Cl)c1C(=O)[O-] ZINC000035973514 563502953 /nfs/dbraw/zinc/50/29/53/563502953.db2.gz RSAHBULAKLKDCK-UHFFFAOYSA-N -1 0 304.773 4.222 40 0 DIABRM Cc1ccc(-c2nc(C)cc(Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000008702975 563523457 /nfs/dbraw/zinc/52/34/57/563523457.db2.gz VFSRMAHKXCQLKP-UHFFFAOYSA-N -1 0 319.364 4.202 40 0 DIABRM COc1cccc2c(C(=O)[O-])cc(-c3ccc(Cl)cc3)nc12 ZINC000001593684 563633833 /nfs/dbraw/zinc/63/38/33/563633833.db2.gz RPQRDDMWGBAIKT-UHFFFAOYSA-N -1 0 313.740 4.262 40 0 DIABRM CCC[C@@H](Sc1ccccc1NC(=O)C(C)(C)CC)C(=O)[O-] ZINC000008732922 563644035 /nfs/dbraw/zinc/64/40/35/563644035.db2.gz XNWBZHHVQWDJTI-CQSZACIVSA-N -1 0 323.458 4.407 40 0 DIABRM CCCCCC(=O)Nc1ccccc1SC(C)(C)C(=O)[O-] ZINC000008732884 563644185 /nfs/dbraw/zinc/64/41/85/563644185.db2.gz HBRVOJLRZOVJGK-UHFFFAOYSA-N -1 0 309.431 4.161 40 0 DIABRM CCC[C@H](C)C(=O)Nc1ccccc1SCCCC(=O)[O-] ZINC000008732903 563644251 /nfs/dbraw/zinc/64/42/51/563644251.db2.gz BNJHYOVZQQCGMI-LBPRGKRZSA-N -1 0 309.431 4.018 40 0 DIABRM CC(C)(C)CC(=O)Nc1ccccc1SCCCC(=O)[O-] ZINC000008732926 563644315 /nfs/dbraw/zinc/64/43/15/563644315.db2.gz ZHCSBCZYNKDMDF-UHFFFAOYSA-N -1 0 309.431 4.018 40 0 DIABRM CCc1ccc(-c2cc(C(=O)[O-])nn2-c2ccc(C)cc2)cc1 ZINC000011801622 563650903 /nfs/dbraw/zinc/65/09/03/563650903.db2.gz YQWOFFOXESQDAD-UHFFFAOYSA-N -1 0 306.365 4.108 40 0 DIABRM O=C([O-])/C=C/c1cccc(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000216851788 563711468 /nfs/dbraw/zinc/71/14/68/563711468.db2.gz ZGPYNBADQOPLDR-BQYQJAHWSA-N -1 0 316.744 4.082 40 0 DIABRM CCOC(=O)c1c(C)oc2c1c(Cl)c([O-])c1ccccc21 ZINC000008228749 563719535 /nfs/dbraw/zinc/71/95/35/563719535.db2.gz BKIIIMMBANKQSH-UHFFFAOYSA-N -1 0 304.729 4.430 40 0 DIABRM CCC[C@@H](C(=O)[O-])N1c2cc(OC)ccc2[C@@H](C)CC1(C)C ZINC000223217053 563731938 /nfs/dbraw/zinc/73/19/38/563731938.db2.gz UJWCEDFSTBUNEC-WFASDCNBSA-N -1 0 305.418 4.041 40 0 DIABRM CCCC[C@@H](C(=O)[O-])N1c2cc(OC)ccc2[C@@H](C)CC1(C)C ZINC000223224825 563732566 /nfs/dbraw/zinc/73/25/66/563732566.db2.gz UGHPNAXRUVEIHY-BBRMVZONSA-N -1 0 319.445 4.431 40 0 DIABRM Cc1cccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)[O-])c1C ZINC000225022326 563746423 /nfs/dbraw/zinc/74/64/23/563746423.db2.gz SQQCVZQQRJGSET-MRXNPFEDSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1cccc(C[C@@H](Oc2ccc(C(C)(C)C)cc2)C(=O)[O-])c1 ZINC000225017697 563746463 /nfs/dbraw/zinc/74/64/63/563746463.db2.gz SHHRWRWWXBVCLX-GOSISDBHSA-N -1 0 312.409 4.367 40 0 DIABRM Cc1ccc(S[C@@H](Cc2c(C)cccc2C)C(=O)[O-])cc1 ZINC000225032166 563746539 /nfs/dbraw/zinc/74/65/39/563746539.db2.gz ACGKHEVLLLGCNJ-KRWDZBQOSA-N -1 0 300.423 4.400 40 0 DIABRM Cc1ccc(S[C@@H](Cc2cccc(C)c2C)C(=O)[O-])cc1 ZINC000225023868 563746571 /nfs/dbraw/zinc/74/65/71/563746571.db2.gz YFXDHEYXXXEBPY-KRWDZBQOSA-N -1 0 300.423 4.400 40 0 DIABRM Cc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000225033583 563746625 /nfs/dbraw/zinc/74/66/25/563746625.db2.gz ISXRWQYQWOAFMB-MRXNPFEDSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1ccc(C)c(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])c1 ZINC000225028419 563746777 /nfs/dbraw/zinc/74/67/77/563746777.db2.gz HGVNVWVNMPEKRS-QGZVFWFLSA-N -1 0 318.800 4.340 40 0 DIABRM Cc1cc(C)cc(C[C@H](Oc2ccccc2Cl)C(=O)[O-])c1 ZINC000225036272 563746979 /nfs/dbraw/zinc/74/69/79/563746979.db2.gz JUHQWMCJFBUPPC-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM CCc1ccc(C[C@@H](Oc2ccccc2C(C)C)C(=O)[O-])cc1 ZINC000225043217 563747381 /nfs/dbraw/zinc/74/73/81/563747381.db2.gz PKYUBTKDQUFCRD-LJQANCHMSA-N -1 0 312.409 4.447 40 0 DIABRM CCc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])cc1 ZINC000225043065 563747573 /nfs/dbraw/zinc/74/75/73/563747573.db2.gz KMPFNWPTZRKTAS-KRWDZBQOSA-N -1 0 318.800 4.286 40 0 DIABRM Cc1cc(C)cc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)[O-])c1 ZINC000225077229 563747843 /nfs/dbraw/zinc/74/78/43/563747843.db2.gz KLWJRHPLYJVDDZ-QGZVFWFLSA-N -1 0 318.800 4.340 40 0 DIABRM Cc1ccc(Cl)cc1C[C@H](Sc1ccccc1)C(=O)[O-] ZINC000225078200 563747918 /nfs/dbraw/zinc/74/79/18/563747918.db2.gz KIULRCNDHVNVJS-HNNXBMFYSA-N -1 0 306.814 4.436 40 0 DIABRM Cc1cc(C)cc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000225060971 563747954 /nfs/dbraw/zinc/74/79/54/563747954.db2.gz WORVYPAVAWMHLF-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1cccc(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)[O-])c1 ZINC000225093156 563748352 /nfs/dbraw/zinc/74/83/52/563748352.db2.gz PWGVRXFQBSSATQ-HNNXBMFYSA-N -1 0 324.298 4.089 40 0 DIABRM COc1ccccc1C[C@H](Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000225097992 563748662 /nfs/dbraw/zinc/74/86/62/563748662.db2.gz DXDIHXYGRRHFJZ-HNNXBMFYSA-N -1 0 322.813 4.137 40 0 DIABRM COc1ccc(C)cc1C[C@H](Sc1ccc(C)cc1)C(=O)[O-] ZINC000225118877 563749228 /nfs/dbraw/zinc/74/92/28/563749228.db2.gz MCAKEXRERWSYBH-KRWDZBQOSA-N -1 0 316.422 4.100 40 0 DIABRM Cc1cc(C)c(C[C@H](Oc2cc(C)cc(C)c2)C(=O)[O-])c(C)c1 ZINC000225136345 563749559 /nfs/dbraw/zinc/74/95/59/563749559.db2.gz JJNVFLGDDOTKCL-IBGZPJMESA-N -1 0 312.409 4.303 40 0 DIABRM CC1(C)[C@@H](c2nc3cc(Cl)ccc3[nH]2)CC[C@@]1(C)C(=O)[O-] ZINC000006855899 563822081 /nfs/dbraw/zinc/82/20/81/563822081.db2.gz OYOJTMJWKBYBKK-HWPZZCPQSA-N -1 0 306.793 4.211 40 0 DIABRM Cc1nc(Cl)cc(Nc2cc(Cl)c([O-])c(Cl)c2)n1 ZINC000329070569 563834679 /nfs/dbraw/zinc/83/46/79/563834679.db2.gz ZHRSJGNGSNUPRI-UHFFFAOYSA-N -1 0 304.564 4.194 40 0 DIABRM CC(C)c1ccc(C(=O)n2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000216950225 563859308 /nfs/dbraw/zinc/85/93/08/563859308.db2.gz JZMZPCYLXNPIRC-UHFFFAOYSA-N -1 0 307.349 4.151 40 0 DIABRM Cc1cccc(NCc2n[n-]c(=S)n2-c2cccc(C)c2C)c1 ZINC000026475765 563865098 /nfs/dbraw/zinc/86/50/98/563865098.db2.gz SQNBLPOXRJSGSK-UHFFFAOYSA-N -1 0 324.453 4.467 40 0 DIABRM O=C([O-])c1sc2c(c1Cl)c(F)ccc2Br ZINC000228939740 563914656 /nfs/dbraw/zinc/91/46/56/563914656.db2.gz FGPYVBJKZLSCOY-UHFFFAOYSA-N -1 0 309.543 4.155 40 0 DIABRM CCc1ccc(C(=O)Oc2c(C)cc(/C=C/C(=O)[O-])cc2C)cc1 ZINC000256051131 563928051 /nfs/dbraw/zinc/92/80/51/563928051.db2.gz HVUOYBCDTMYQSN-JXMROGBWSA-N -1 0 324.376 4.183 40 0 DIABRM C[C@@]12C[C@]3(CC1=O)CC[C@@H]1[C@](C)(CCC[C@]1(C)C(=O)[O-])[C@H]3CC2 ZINC000005912508 1056058035 /nfs/dbraw/zinc/05/80/35/1056058035.db2.gz KFVUFODCZDRVSS-PZWCKASYSA-N -1 0 318.457 4.443 40 0 DIABRM Cc1ccccc1COc1ccc(C(=O)[O-])cc1Br ZINC000011896476 1056377378 /nfs/dbraw/zinc/37/73/78/1056377378.db2.gz SBBYVZNWUGAQEK-UHFFFAOYSA-N -1 0 321.170 4.035 40 0 DIABRM CC(C)c1nc(/C=C/c2cc3ccccc3o2)ncc1C(=O)[O-] ZINC000172554955 1057262046 /nfs/dbraw/zinc/26/20/46/1057262046.db2.gz LAUWURXTQCOMJQ-BQYQJAHWSA-N -1 0 308.337 4.215 40 0 DIABRM COc1cc(/C=C/C(=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000006180894 181317736 /nfs/dbraw/zinc/31/77/36/181317736.db2.gz YSNZRQCRIIRDRU-BQYQJAHWSA-N -1 0 318.756 4.025 40 0 DIABRM CC(C)c1ccc(-c2cc(C(=O)[O-])nn2-c2ccccc2)cc1 ZINC000006754577 181383879 /nfs/dbraw/zinc/38/38/79/181383879.db2.gz BWMLJYMXLHHBOI-UHFFFAOYSA-N -1 0 306.365 4.361 40 0 DIABRM C[C@@H]1CC(C)(C)N(Cc2ccc(C(=O)[O-])o2)c2ccc(F)cc21 ZINC000223233677 201638568 /nfs/dbraw/zinc/63/85/68/201638568.db2.gz KZEDDYYVUXNQFR-LLVKDONJSA-N -1 0 317.360 4.409 40 0 DIABRM CC[C@@H](C(=O)[O-])N(C)c1cc(Cl)ccc1Oc1ccccc1 ZINC000225005021 201682328 /nfs/dbraw/zinc/68/23/28/201682328.db2.gz YAIAPWGSJKXWMT-AWEZNQCLSA-N -1 0 319.788 4.432 40 0 DIABRM Cc1ccc(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000225021046 201682845 /nfs/dbraw/zinc/68/28/45/201682845.db2.gz DUJVTIXTWVOKDR-LJQANCHMSA-N -1 0 306.361 4.223 40 0 DIABRM CCc1ccccc1C[C@@H](Oc1cc(C)cc(C)c1C)C(=O)[O-] ZINC000225040762 201683755 /nfs/dbraw/zinc/68/37/55/201683755.db2.gz 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4.017 40 0 DIABRM CCCCC/C=C\C[C@H](O)[C@@H](O)CCCCCCCC(=O)[O-] ZINC000012496441 181767871 /nfs/dbraw/zinc/76/78/71/181767871.db2.gz XEBKSQSGNGRGDW-CJWPDFJNSA-N -1 0 314.466 4.050 40 0 endogenous,in-man DIABRM CC(C)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000013094754 181827859 /nfs/dbraw/zinc/82/78/59/181827859.db2.gz GNOJSFCQFSPZKZ-DHZHZOJOSA-N -1 0 309.365 4.160 40 0 DIABRM CC(C)c1ccc2c(c1)[C@@H](O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000013302307 181841747 /nfs/dbraw/zinc/84/17/47/181841747.db2.gz GPFVBJYXFRIOFB-RAUXBKROSA-N -1 0 316.441 4.396 40 0 biogenic,in-vitro DIABRM CC(=O)CCCCCC/C=C\CCCCCC[C@H](O)C(=O)[O-] ZINC000022060977 182307070 /nfs/dbraw/zinc/30/70/70/182307070.db2.gz NYSHLUUKQNYIFM-KYVUIXNKSA-N -1 0 312.450 4.258 40 0 in-vitro DIABRM COc1ccc(C(=O)[O-])cc1COc1cccc2ccccc21 ZINC000024549328 182383491 /nfs/dbraw/zinc/38/34/91/182383491.db2.gz IXQPVYOPPCKLLC-UHFFFAOYSA-N -1 0 308.333 4.126 40 0 DIABRM COc1ccc(C(=O)[O-])cc1COc1ccc2ccccc2c1 ZINC000024549333 182383514 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DIABRM CCc1nc(-c2ccc(Cl)cc2OC(C)C)ccc1C(=O)[O-] ZINC000585265842 563537314 /nfs/dbraw/zinc/53/73/14/563537314.db2.gz SLJKZOHGARZZFE-UHFFFAOYSA-N -1 0 319.788 4.450 40 0 DIABRM COc1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)cc3n2)cc1 ZINC000000243536 563581013 /nfs/dbraw/zinc/58/10/13/563581013.db2.gz SWAZLUGHVFRSEA-UHFFFAOYSA-N -1 0 313.740 4.262 40 0 DIABRM CC(C)c1ccc(CNn2c(=S)[nH]nc2-c2ccccc2)cc1 ZINC000007601543 563640563 /nfs/dbraw/zinc/64/05/63/563640563.db2.gz KWSPMRZBPHHZJE-UHFFFAOYSA-N -1 0 324.453 4.475 40 0 DIABRM Cc1cc(C(=O)[O-])ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000013390915 563658283 /nfs/dbraw/zinc/65/82/83/563658283.db2.gz ZSNLYIQSLSXNPI-IZZDOVSWSA-N -1 0 323.392 4.469 40 0 DIABRM Cc1ccccc1C[C@H](Oc1ccc(Cl)c(C)c1)C(=O)[O-] ZINC000225015445 563746073 /nfs/dbraw/zinc/74/60/73/563746073.db2.gz HUATWDUZGIOVPU-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1ccccc1C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000225015244 563746229 /nfs/dbraw/zinc/74/62/29/563746229.db2.gz 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VABCZANCEAFXGT-MRXNPFEDSA-N -1 0 304.773 4.032 40 0 DIABRM C[C@]12CCC[C@](C)(C(=O)[O-])[C@H]1CC[C@]13C=C(CO)[C@H](C1)CC[C@H]32 ZINC000253389146 574421222 /nfs/dbraw/zinc/42/12/22/574421222.db2.gz XEQHVCXFKPCQNM-KWZARGIESA-N -1 0 318.457 4.013 40 0 endogenous,in-man DIABRM COc1ccc(Cl)cc1Nc1cc(Cl)ccc1C(=O)[O-] ZINC000001717483 563293142 /nfs/dbraw/zinc/29/31/42/563293142.db2.gz GYWBQALTOLZWKF-UHFFFAOYSA-N -1 0 312.152 4.444 40 0 DIABRM O=C([O-])C1=C(C=C(c2ccccc2)c2ccccc2)OCCC1 ZINC000002022795 563297900 /nfs/dbraw/zinc/29/79/00/563297900.db2.gz QTSNFJKZUBJEOH-UHFFFAOYSA-N -1 0 306.361 4.267 40 0 DIABRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000002578578 563309871 /nfs/dbraw/zinc/30/98/71/563309871.db2.gz XPQYIRGHKJEIKE-AWEZNQCLSA-N -1 0 321.417 4.025 40 0 DIABRM O=C(Nc1ccc2[n-]c(=S)sc2c1)Nc1ccccc1F ZINC000006513918 563332544 /nfs/dbraw/zinc/33/25/44/563332544.db2.gz XXZCEVYIMOVDGT-UHFFFAOYSA-N -1 0 319.386 4.368 40 0 DIABRM CCCCC/C=C\C[C@@H](O)[C@H](O)CCCCCCCC(=O)[O-] ZINC000012496444 563370531 /nfs/dbraw/zinc/37/05/31/563370531.db2.gz XEBKSQSGNGRGDW-GJWDQICYSA-N -1 0 314.466 4.050 40 0 endogenous,in-man DIABRM O=C([O-])c1cc(-c2ccc(Cl)c(C(F)(F)F)c2)ccc1O ZINC000026543975 563425996 /nfs/dbraw/zinc/42/59/96/563425996.db2.gz JRQWFUKEPPMDIK-UHFFFAOYSA-N -1 0 316.662 4.430 40 0 DIABRM Cc1ccc(-c2ncc(C(=O)[O-])c(Nc3ccccc3)n2)cc1C ZINC000049469631 563467652 /nfs/dbraw/zinc/46/76/52/563467652.db2.gz QEMICNOPSSXUND-UHFFFAOYSA-N -1 0 319.364 4.202 40 0 DIABRM O=C(C=C([O-])c1ccc(Cl)cc1)Cc1ccc2ccccc2n1 ZINC000104151828 563563006 /nfs/dbraw/zinc/56/30/06/563563006.db2.gz PWZYXHHXUXKCRA-UHFFFAOYSA-N -1 0 323.779 4.273 40 0 DIABRM S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(Cl)cc1 ZINC000007601456 563640551 /nfs/dbraw/zinc/64/05/51/563640551.db2.gz QPWFPRKVUGVOJX-UHFFFAOYSA-N -1 0 316.817 4.005 40 0 DIABRM CCC(CC)C(=O)Nc1ccccc1SC(C)(C)C(=O)[O-] ZINC000008732893 563644073 /nfs/dbraw/zinc/64/40/73/563644073.db2.gz JZKGDDAQGABDKW-UHFFFAOYSA-N -1 0 309.431 4.017 40 0 DIABRM CCC[C@@H](C)C(=O)Nc1ccccc1SC(C)(C)C(=O)[O-] ZINC000008732908 563644170 /nfs/dbraw/zinc/64/41/70/563644170.db2.gz PXSVYQZEKROGOB-LLVKDONJSA-N -1 0 309.431 4.017 40 0 DIABRM CCC[C@H](Sc1ccccc1NC(=O)C(C)(C)CC)C(=O)[O-] ZINC000008732921 563644198 /nfs/dbraw/zinc/64/41/98/563644198.db2.gz XNWBZHHVQWDJTI-AWEZNQCLSA-N -1 0 323.458 4.407 40 0 DIABRM CCC[C@H](Sc1ccccc1NC(=O)C(CC)CC)C(=O)[O-] ZINC000008732894 563644208 /nfs/dbraw/zinc/64/42/08/563644208.db2.gz VGGMOUIYOKYANJ-HNNXBMFYSA-N -1 0 323.458 4.407 40 0 DIABRM O=C([O-])c1ccc(CNc2ccc(Oc3ccccc3)cc2)o1 ZINC000008702221 563644224 /nfs/dbraw/zinc/64/42/24/563644224.db2.gz RIWZULROUUKKBT-UHFFFAOYSA-N -1 0 309.321 4.382 40 0 DIABRM CCCCCCOc1c(Cl)cc(C(=O)[O-])cc1OCC ZINC000011956983 563650565 /nfs/dbraw/zinc/65/05/65/563650565.db2.gz XFMOEFCJISIEIG-UHFFFAOYSA-N -1 0 300.782 4.396 40 0 DIABRM Cc1ccc(-n2nc(C(=O)[O-])cc2-c2ccc(C)c(C)c2)cc1 ZINC000011801699 563650658 /nfs/dbraw/zinc/65/06/58/563650658.db2.gz OWNKKQAMTLMFJN-UHFFFAOYSA-N -1 0 306.365 4.163 40 0 DIABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc2ccccc2c1 ZINC000013391116 563658160 /nfs/dbraw/zinc/65/81/60/563658160.db2.gz JRHQYMXOWFTWFW-UHFFFAOYSA-N -1 0 305.333 4.099 40 0 DIABRM CC(C)c1ccc(/C=C/C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013439084 563659919 /nfs/dbraw/zinc/65/99/19/563659919.db2.gz ZTJFVDZOFKJUFN-KPKJPENVSA-N -1 0 323.392 4.089 40 0 DIABRM CC[Si](CC)(CC)c1ccc(C(=O)[O-])c(Cl)c1Cl ZINC000219790620 563721746 /nfs/dbraw/zinc/72/17/46/563721746.db2.gz DCHHBCIUYOMKIZ-UHFFFAOYSA-N -1 0 305.277 4.407 40 0 DIABRM C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1[Si](C)(C)C ZINC000219793521 563721805 /nfs/dbraw/zinc/72/18/05/563721805.db2.gz GHTGYOGNEFEWPU-GFCCVEGCSA-N -1 0 316.448 4.226 40 0 DIABRM CC(C)c1cc(Br)ccc1-n1cccc1C(=O)[O-] ZINC000223735022 563735862 /nfs/dbraw/zinc/73/58/62/563735862.db2.gz OBOFKGSSFGMQBH-UHFFFAOYSA-N -1 0 308.175 4.061 40 0 DIABRM Cc1ccc(C[C@H](Oc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000225021091 563746301 /nfs/dbraw/zinc/74/63/01/563746301.db2.gz DUJVTIXTWVOKDR-IBGZPJMESA-N -1 0 306.361 4.223 40 0 DIABRM Cc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)[O-])c(C)c1 ZINC000225025275 563746545 /nfs/dbraw/zinc/74/65/45/563746545.db2.gz HPSCPBFFJSJCJK-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])cc1C ZINC000225033998 563746553 /nfs/dbraw/zinc/74/65/53/563746553.db2.gz DGGUBMIZAAYVEG-KRWDZBQOSA-N -1 0 318.800 4.340 40 0 DIABRM CCc1ccccc1C[C@@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000225041052 563746713 /nfs/dbraw/zinc/74/67/13/563746713.db2.gz WKQMUILTBQLLQU-HXUWFJFHSA-N -1 0 320.388 4.477 40 0 DIABRM Cc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)[O-])cc1C ZINC000225033421 563746864 /nfs/dbraw/zinc/74/68/64/563746864.db2.gz CAPZVAILDWUWBT-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM CCc1ccc(C[C@H](Oc2cc(C)cc(C)c2C)C(=O)[O-])cc1 ZINC000225043656 563747291 /nfs/dbraw/zinc/74/72/91/563747291.db2.gz KHCLLNMLALWHOW-IBGZPJMESA-N -1 0 312.409 4.249 40 0 DIABRM CC(C)(C)c1ccc(O[C@H](Cc2ccccc2F)C(=O)[O-])cc1 ZINC000225050916 563747491 /nfs/dbraw/zinc/74/74/91/563747491.db2.gz VNLZAOZWQNZUSR-QGZVFWFLSA-N -1 0 316.372 4.198 40 0 DIABRM Cc1cc(C)cc(O[C@@H](Cc2cccc(Cl)c2C)C(=O)[O-])c1 ZINC000225070953 563747865 /nfs/dbraw/zinc/74/78/65/563747865.db2.gz XMHPSDLMUPZUTH-KRWDZBQOSA-N -1 0 318.800 4.340 40 0 DIABRM Cc1ccc(O[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1C ZINC000225059604 563748024 /nfs/dbraw/zinc/74/80/24/563748024.db2.gz PELJLYCQIGFXNT-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM O=C([O-])[C@@H](Cc1ccc(Cl)cc1)Oc1cccc(Cl)c1 ZINC000225060769 563748028 /nfs/dbraw/zinc/74/80/28/563748028.db2.gz NOHVNJZMWHNUOD-CQSZACIVSA-N -1 0 311.164 4.068 40 0 DIABRM Cc1ccc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])cc1C ZINC000225061625 563748098 /nfs/dbraw/zinc/74/80/98/563748098.db2.gz HTDAFNGOMNQUEN-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM COc1ccc(C)cc1C[C@@H](Sc1ccc(C)cc1)C(=O)[O-] ZINC000225118842 563749027 /nfs/dbraw/zinc/74/90/27/563749027.db2.gz MCAKEXRERWSYBH-QGZVFWFLSA-N -1 0 316.422 4.100 40 0 DIABRM CCCCc1ccc(C[C@@H](Oc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000225127798 563749204 /nfs/dbraw/zinc/74/92/04/563749204.db2.gz HQHCGTPPCXOLFN-LJQANCHMSA-N -1 0 312.409 4.412 40 0 DIABRM CCC[C@H](C(=O)[O-])N1c2cc(OC)ccc2[C@H](C)CC1(C)C ZINC000260624742 563773699 /nfs/dbraw/zinc/77/36/99/563773699.db2.gz UJWCEDFSTBUNEC-IUODEOHRSA-N -1 0 305.418 4.041 40 0 DIABRM CCCCOc1ccccc1-c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000256028027 563789005 /nfs/dbraw/zinc/78/90/05/563789005.db2.gz OXJKCRDKOABVSF-UHFFFAOYSA-N -1 0 310.353 4.107 40 0 DIABRM O=C([O-])c1cc2nc(-c3cccc(Cl)c3)[nH]c2c(Cl)c1 ZINC000216921893 563858488 /nfs/dbraw/zinc/85/84/88/563858488.db2.gz SEZMPJJNJSCZMR-UHFFFAOYSA-N -1 0 307.136 4.235 40 0 DIABRM CCO[C@@H](CC(=O)[O-])c1ccc(OCc2ccccc2C)cc1 ZINC000116390217 563914148 /nfs/dbraw/zinc/91/41/48/563914148.db2.gz WQMYKBGTTBVBQN-SFHVURJKSA-N -1 0 314.381 4.126 40 0 DIABRM O=C([O-])/C=C/c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000011890847 563914258 /nfs/dbraw/zinc/91/42/58/563914258.db2.gz CMVRNZOIXJTPCI-XCVCLJGOSA-N -1 0 319.154 4.339 40 0 DIABRM O=c1[nH]c2cccc(Br)c2c([O-])c1-c1ccccc1 ZINC000685937204 563927083 /nfs/dbraw/zinc/92/70/83/563927083.db2.gz MYOMDCSWHPFAHE-UHFFFAOYSA-N -1 0 316.154 4.076 40 0 DIABRM CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000013302304 563929305 /nfs/dbraw/zinc/92/93/05/563929305.db2.gz GPFVBJYXFRIOFB-PIKOESSRSA-N -1 0 316.441 4.396 40 0 biogenic,in-vitro DIABRM CC(C)(C)OC(=O)N(Cc1ccc(C(=O)[O-])cc1)C1CCCC1 ZINC000083348293 185221992 /nfs/dbraw/zinc/22/19/92/185221992.db2.gz ZDODNOMMABQISZ-UHFFFAOYSA-N -1 0 319.401 4.065 40 0 DIABRM CCCC(=O)Nc1ccc(-c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000226352703 201776422 /nfs/dbraw/zinc/77/64/22/201776422.db2.gz ZPTFKXGPIUKDPQ-UHFFFAOYSA-N -1 0 307.733 4.037 40 0 DIABRM CCOc1ccc2nccc(Nc3ccc(C(=O)[O-])cc3)c2c1 ZINC000072237224 191080469 /nfs/dbraw/zinc/08/04/69/191080469.db2.gz PEXDGDFKZXGRBQ-UHFFFAOYSA-N -1 0 308.337 4.075 40 0 DIABRM C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000003881323 181051566 /nfs/dbraw/zinc/05/15/66/181051566.db2.gz MGMOLZNAUACBCR-WQBJWTDHSA-N -1 0 318.457 4.011 40 0 biogenic DIABRM O=C([O-])CCC1=NN(c2ccccc2)[C@@H](CCc2ccccc2)C1 ZINC000003845492 181048631 /nfs/dbraw/zinc/04/86/31/181048631.db2.gz ANRGJEWSEBYCRS-IBGZPJMESA-N -1 0 322.408 4.119 40 0 DIABRM C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-] ZINC000006500048 181346507 /nfs/dbraw/zinc/34/65/07/181346507.db2.gz KAYYIYDHRSEWHR-OWAZHJKWSA-N -1 0 320.473 4.091 40 0 DIABRM Nc1cccc(C(=O)[O-])c1Nc1ccccc1-c1ccccc1 ZINC000006733699 181380051 /nfs/dbraw/zinc/38/00/51/181380051.db2.gz ITZDTEMQHMKVFN-UHFFFAOYSA-N -1 0 304.349 4.378 40 0 DIABRM Cc1ccc(C)c(C[C@H](Oc2ccc(Cl)cc2)C(=O)[O-])c1 ZINC000225028089 201683893 /nfs/dbraw/zinc/68/38/93/201683893.db2.gz CNJHFRRCTFXPJD-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1cc(C)c(C)c(O[C@H](Cc2c(C)cccc2C)C(=O)[O-])c1 ZINC000225031721 201684458 /nfs/dbraw/zinc/68/44/58/201684458.db2.gz DLJALKWFYZUUAE-LJQANCHMSA-N -1 0 312.409 4.303 40 0 DIABRM O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccccc1 ZINC000225090063 201687232 /nfs/dbraw/zinc/68/72/32/201687232.db2.gz GWAWMXFXTDDJFJ-CQSZACIVSA-N -1 0 311.164 4.068 40 0 DIABRM CCCOc1c(Br)cc(C(C)(C)C)cc1C(=O)[O-] ZINC000225283779 201693372 /nfs/dbraw/zinc/69/33/72/201693372.db2.gz WHEHVFXAPUSAJL-UHFFFAOYSA-N -1 0 315.207 4.234 40 0 DIABRM COc1ccc(/C=C/C(=O)[O-])cc1OCc1ccc(Cl)cc1 ZINC000011994145 181722671 /nfs/dbraw/zinc/72/26/71/181722671.db2.gz RITAZZIEZALZEJ-WEVVVXLNSA-N -1 0 318.756 4.025 40 0 DIABRM O=C([O-])c1ccccc1SCc1cc2c(cc1Cl)OCO2 ZINC000016449387 182044989 /nfs/dbraw/zinc/04/49/89/182044989.db2.gz RAWZWLWZZTXAHN-UHFFFAOYSA-N -1 0 322.769 4.059 40 0 DIABRM CCCCN(C(=O)c1ccc(C)cc1)c1ccc(C(=O)[O-])cc1 ZINC000016638771 182054669 /nfs/dbraw/zinc/05/46/69/182054669.db2.gz VGDGLWKTMYBQJU-UHFFFAOYSA-N -1 0 311.381 4.140 40 0 DIABRM O=C([O-])c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 ZINC000020158789 182194018 /nfs/dbraw/zinc/19/40/18/182194018.db2.gz AFHOODZFZRZLPW-UHFFFAOYSA-N -1 0 308.120 4.500 40 0 DIABRM COc1ccc(C(=O)[O-])cc1COc1ccccc1C(C)(C)C ZINC000024549413 182383156 /nfs/dbraw/zinc/38/31/56/182383156.db2.gz CRAKVVUTILZIIM-UHFFFAOYSA-N -1 0 314.381 4.270 40 0 DIABRM CCOc1ccc(C(=O)[O-])cc1COc1ccccc1Cl ZINC000024549308 182383538 /nfs/dbraw/zinc/38/35/38/182383538.db2.gz RVKSCZCKFWXFPX-UHFFFAOYSA-N -1 0 306.745 4.016 40 0 DIABRM COc1cccc(CCc2cccc3ccccc32)c1C(=O)[O-] ZINC000035973526 182790433 /nfs/dbraw/zinc/79/04/33/182790433.db2.gz RRYWAHGJHFFHGD-UHFFFAOYSA-N -1 0 306.361 4.332 40 0 DIABRM O=C([O-])/C=C/c1ccc(-c2ccc(Br)s2)s1 ZINC000044201155 183398445 /nfs/dbraw/zinc/39/84/45/183398445.db2.gz WTYXPBBWGBZKRE-QHHAFSJGSA-N -1 0 315.213 4.337 40 0 DIABRM Cc1coc(-c2ccc3c(c2O)CCCC3(C)C)c1C(=O)[O-] ZINC000045259294 183491616 /nfs/dbraw/zinc/49/16/16/183491616.db2.gz SXYWLTCAODPVEW-UHFFFAOYSA-N -1 0 300.354 4.273 40 0 DIABRM CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@@]2(C)CCC[C@]1(C)C(=O)[O-] ZINC000104647585 194021607 /nfs/dbraw/zinc/02/16/07/194021607.db2.gz ILQLITDRYFHAGM-VDGAXYAQSA-N -1 0 316.441 4.009 40 0 biogenic,in-vitro DIABRM Cc1ccc2oc([N-]c3nc4c(cc(C)cc4N)s3)nc2c1 ZINC000057352553 184034739 /nfs/dbraw/zinc/03/47/39/184034739.db2.gz QBGBRDRYBNJZJL-UHFFFAOYSA-N -1 0 310.382 4.380 40 0 DIABRM Cc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)c(Br)c1 ZINC000057353775 184035297 /nfs/dbraw/zinc/03/52/97/184035297.db2.gz QEGLSBRRJRDNOZ-QPJJXVBHSA-N -1 0 307.143 4.115 40 0 DIABRM CCc1ccc(-c2cc(C(=O)[O-])nn2-c2ccccc2C)cc1 ZINC000059472446 256539800 /nfs/dbraw/zinc/53/98/00/256539800.db2.gz QLQZDNSRTZERNM-UHFFFAOYSA-N -1 0 306.365 4.108 40 0 DIABRM O=C([O-])c1n[nH]c(-c2ccc(Cl)cc2)c1Cc1ccccc1 ZINC000072220445 257124493 /nfs/dbraw/zinc/12/44/93/257124493.db2.gz GIKQVOHQNIPQHM-UHFFFAOYSA-N -1 0 312.756 4.019 40 0 DIABRM Cc1ccc(Cl)cc1N1N=C(C(=O)[O-])C[C@H]1c1ccccc1 ZINC000071979017 184917702 /nfs/dbraw/zinc/91/77/02/184917702.db2.gz TYIXCBQLDDAIFT-INIZCTEOSA-N -1 0 314.772 4.040 40 0 DIABRM CCC[C@@H](C(=O)[O-])N1c2cc(OC)ccc2[C@H](C)CC1(C)C ZINC000260624737 333463388 /nfs/dbraw/zinc/46/33/88/333463388.db2.gz UJWCEDFSTBUNEC-DOMZBBRYSA-N -1 0 305.418 4.041 40 0 DIABRM Cc1ccccc1O[C@@H](Cc1cccc(Cl)c1C)C(=O)[O-] ZINC000225070180 563747893 /nfs/dbraw/zinc/74/78/93/563747893.db2.gz USBPVFOQNPZUDK-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM C/C(C(=O)[O-])=C(\Cl)c1c(C)cc(C)c(Br)c1C ZINC000001651885 563289335 /nfs/dbraw/zinc/28/93/35/563289335.db2.gz YEGQXLHJORQHOM-FMIVXFBMSA-N -1 0 317.610 4.429 40 0 DIABRM O=C([O-])c1c(C(=O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000001689893 563291198 /nfs/dbraw/zinc/29/11/98/563291198.db2.gz AJXZPOQPSCXYOV-UHFFFAOYSA-N -1 0 310.736 4.422 40 0 DIABRM O=c1cc(CSc2nc3ccccc3o2)[n-]n1-c1ccccc1 ZINC000010157328 563355474 /nfs/dbraw/zinc/35/54/74/563355474.db2.gz AAAXZLPISGCBHZ-UHFFFAOYSA-N -1 0 323.377 4.011 40 0 DIABRM Cc1cccc(C(=O)Nc2cc(C(=O)[O-])c(Cl)cc2Cl)c1 ZINC000020137439 563416946 /nfs/dbraw/zinc/41/69/46/563416946.db2.gz BYLICOWIOUVZAS-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM O=C([O-])c1sc(Cl)c(Cl)c1OCc1ccccc1 ZINC000096511029 563486326 /nfs/dbraw/zinc/48/63/26/563486326.db2.gz INWLJQJVQHYFRK-UHFFFAOYSA-N -1 0 303.166 4.332 40 0 DIABRM Cc1c(Cl)cccc1N1N=C(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000071979168 563502024 /nfs/dbraw/zinc/50/20/24/563502024.db2.gz IFFQGCWTHNUVJN-MRXNPFEDSA-N -1 0 314.772 4.040 40 0 DIABRM CC(C)c1ccc(N2N=C(C(=O)[O-])C[C@@H]2c2ccccc2)cc1 ZINC000071979116 563502078 /nfs/dbraw/zinc/50/20/78/563502078.db2.gz JEVRSSLRXXABDD-GOSISDBHSA-N -1 0 308.381 4.202 40 0 DIABRM Cc1cccc(-c2nc(C)cc(Nc3ccccc3C(=O)[O-])n2)c1 ZINC000008702971 563523623 /nfs/dbraw/zinc/52/36/23/563523623.db2.gz UNMNNDLUDUAOGR-UHFFFAOYSA-N -1 0 319.364 4.202 40 0 DIABRM Cc1ccc(-c2ccc(CC3(C(=O)[O-])CCOCC3)cc2)c(C)c1 ZINC000585164872 563524893 /nfs/dbraw/zinc/52/48/93/563524893.db2.gz OVALFJTXDQGOPI-UHFFFAOYSA-N -1 0 324.420 4.394 40 0 DIABRM Cc1cccc2c1cc(C(=O)[O-])n2CCOc1c(C)cccc1C ZINC000585267033 563537340 /nfs/dbraw/zinc/53/73/40/563537340.db2.gz FZBWYXSJOKMRME-UHFFFAOYSA-N -1 0 323.392 4.344 40 0 DIABRM CCCCC[C@@H](CC)C(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100921777 563554057 /nfs/dbraw/zinc/55/40/57/563554057.db2.gz LBIKQFGVWXYZPI-NVXWUHKLSA-N -1 0 314.429 4.201 40 0 DIABRM CCCCC[C@@H](CC)C(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100921774 563554150 /nfs/dbraw/zinc/55/41/50/563554150.db2.gz LBIKQFGVWXYZPI-WBVHZDCISA-N -1 0 314.429 4.201 40 0 DIABRM COc1ccc(/C=N/c2cccc(Cl)c2C)cc1C(=O)[O-] ZINC000008277868 563609602 /nfs/dbraw/zinc/60/96/02/563609602.db2.gz AJAYUKXITRPYQA-GIJQJNRQSA-N -1 0 303.745 4.106 40 0 DIABRM CCCc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2)cc1 ZINC000007601382 563640542 /nfs/dbraw/zinc/64/05/42/563640542.db2.gz DSQPVFKHRLTHCH-UHFFFAOYSA-N -1 0 324.453 4.304 40 0 DIABRM CC(C)c1ccc2c(c1)[C@@H](O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000013302302 563657930 /nfs/dbraw/zinc/65/79/30/563657930.db2.gz GPFVBJYXFRIOFB-ONCXSQPRSA-N -1 0 316.441 4.396 40 0 biogenic,in-vitro DIABRM COc1ccc2ccccc2c1-c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000150229510 563678147 /nfs/dbraw/zinc/67/81/47/563678147.db2.gz PQWUGPBXPMLFPG-UHFFFAOYSA-N -1 0 318.332 4.090 40 0 DIABRM CC[C@@H](C(=O)[O-])N(C)c1ccccc1Sc1ccccc1 ZINC000225004216 563746085 /nfs/dbraw/zinc/74/60/85/563746085.db2.gz BNDDUCYPTSOJQM-AWEZNQCLSA-N -1 0 301.411 4.137 40 0 DIABRM Cc1ccccc1C[C@H](Oc1ccccc1C(C)(C)C)C(=O)[O-] ZINC000225015151 563746137 /nfs/dbraw/zinc/74/61/37/563746137.db2.gz NDTSZQHAFSPWLP-SFHVURJKSA-N -1 0 312.409 4.367 40 0 DIABRM Cc1ccc(C[C@H](Oc2ccccc2C(C)(C)C)C(=O)[O-])cc1 ZINC000225020015 563746275 /nfs/dbraw/zinc/74/62/75/563746275.db2.gz KOQRUECZYRMYML-SFHVURJKSA-N -1 0 312.409 4.367 40 0 DIABRM Cc1ccccc1C[C@H](Oc1ccc2ccccc2c1)C(=O)[O-] ZINC000225016323 563746349 /nfs/dbraw/zinc/74/63/49/563746349.db2.gz AOEWGKPZRZSDJR-IBGZPJMESA-N -1 0 306.361 4.223 40 0 DIABRM C[C@H](C(=O)[O-])N(C)c1cc(Cl)ccc1Oc1ccccc1 ZINC000225004919 563746428 /nfs/dbraw/zinc/74/64/28/563746428.db2.gz WFBGXTDWBKLKFE-LLVKDONJSA-N -1 0 305.761 4.042 40 0 DIABRM C[C@@H](C(=O)[O-])N(C)c1cc(Cl)ccc1Oc1ccccc1 ZINC000225004885 563746429 /nfs/dbraw/zinc/74/64/29/563746429.db2.gz WFBGXTDWBKLKFE-NSHDSACASA-N -1 0 305.761 4.042 40 0 DIABRM Cc1ccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])c(C)c1 ZINC000225025733 563746839 /nfs/dbraw/zinc/74/68/39/563746839.db2.gz FMAQJENVHDFFEF-KRWDZBQOSA-N -1 0 318.800 4.340 40 0 DIABRM O=C([O-])[C@H](Cc1ccccc1Cl)Oc1ccccc1Cl ZINC000225055831 563747324 /nfs/dbraw/zinc/74/73/24/563747324.db2.gz HYSTZQHVRNIFDF-AWEZNQCLSA-N -1 0 311.164 4.068 40 0 DIABRM CC(C)(C)c1ccccc1O[C@@H](Cc1ccc(F)cc1)C(=O)[O-] ZINC000225053680 563747442 /nfs/dbraw/zinc/74/74/42/563747442.db2.gz XHVPPJHOMVHWOW-KRWDZBQOSA-N -1 0 316.372 4.198 40 0 DIABRM CCc1ccc(C[C@H](Oc2ccccc2C(C)C)C(=O)[O-])cc1 ZINC000225043253 563747479 /nfs/dbraw/zinc/74/74/79/563747479.db2.gz PKYUBTKDQUFCRD-IBGZPJMESA-N -1 0 312.409 4.447 40 0 DIABRM Cc1cc(C)c(C)c(O[C@H](Cc2ccccc2Cl)C(=O)[O-])c1 ZINC000225056889 563747565 /nfs/dbraw/zinc/74/75/65/563747565.db2.gz 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CC[C@H](C)n1cc(C)c2c1cc(Br)cc2C(=O)[O-] ZINC000169015275 563924373 /nfs/dbraw/zinc/92/43/73/563924373.db2.gz CHASPSXISNLSOM-VIFPVBQESA-N -1 0 310.191 4.381 40 0 DIABRM COc1ccc(C(=O)[O-])cc1OCc1cccc2ccccc21 ZINC000011962641 568417841 /nfs/dbraw/zinc/41/78/41/568417841.db2.gz YAHNOMIFUAEXJS-UHFFFAOYSA-N -1 0 308.333 4.126 40 0 DIABRM Cc1c(NC(=O)c2cccc(Cl)c2Cl)cccc1C(=O)[O-] ZINC000020138660 1041778829 /nfs/dbraw/zinc/77/88/29/1041778829.db2.gz XVEGDTDARPZWHQ-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM O=C([O-])c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl ZINC000020139656 1041779803 /nfs/dbraw/zinc/77/98/03/1041779803.db2.gz RUVOMZTWIPXORY-UHFFFAOYSA-N -1 0 315.712 4.037 40 0 DIABRM CC(C)(C)OC(=O)n1cc([O-])c2ccc(Cl)c(Cl)c21 ZINC000080443728 192158049 /nfs/dbraw/zinc/15/80/49/192158049.db2.gz RLIQQXVDEDGFRG-UHFFFAOYSA-N -1 0 302.157 4.437 40 0 DIABRM Nc1cc(C(=O)[O-])ccc1NC(c1ccccc1)c1ccccc1 ZINC000139137744 186020396 /nfs/dbraw/zinc/02/03/96/186020396.db2.gz XUVWTZPYIQURBL-UHFFFAOYSA-N -1 0 318.376 4.169 40 0 DIABRM Cc1ccc(-c2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)o1 ZINC000004160861 181079431 /nfs/dbraw/zinc/07/94/31/181079431.db2.gz DCZNQLFFFUMEPA-UHFFFAOYSA-N -1 0 321.332 4.206 40 0 DIABRM CCCCCCC(=O)[C@H]1O[C@@H]1CCCCCCCCC(=O)[O-] ZINC000004410610 181107287 /nfs/dbraw/zinc/10/72/87/181107287.db2.gz UMXHXBIKJIORIB-SJLPKXTDSA-N -1 0 312.450 4.499 40 0 DIABRM [O-]c1c(Cl)cc(Cl)cc1-c1csc(N2CCCC2)n1 ZINC000005670226 181270145 /nfs/dbraw/zinc/27/01/45/181270145.db2.gz GCFKHWXKIOZELS-UHFFFAOYSA-N -1 0 315.225 4.423 40 0 DIABRM Cc1nc2ccccc2c(-c2ccccc2)c1SCC(=O)[O-] ZINC000006043902 181307996 /nfs/dbraw/zinc/30/79/96/181307996.db2.gz DXUOTZRIXQVBLK-UHFFFAOYSA-N -1 0 309.390 4.387 40 0 DIABRM Cc1cc(C(=O)[O-])cc(C)c1OC(=O)c1ccc(C(C)C)cc1 ZINC000216726593 201496075 /nfs/dbraw/zinc/49/60/75/201496075.db2.gz ALEMXQARPOFKEQ-UHFFFAOYSA-N -1 0 312.365 4.344 40 0 DIABRM O=C([O-])c1cccnc1Nc1ccccc1Oc1ccccc1 ZINC000223177686 201636281 /nfs/dbraw/zinc/63/62/81/201636281.db2.gz AVQNQMXIMPKZJX-UHFFFAOYSA-N 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ZINC000062152208 184209408 /nfs/dbraw/zinc/20/94/08/184209408.db2.gz XBGFYAFNUKMNDJ-UHFFFAOYSA-N -1 0 320.957 4.002 40 0 DIABRM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000007604004 256521824 /nfs/dbraw/zinc/52/18/24/256521824.db2.gz XUDNIRRMDQVSOL-UHFFFAOYSA-N -1 0 324.735 4.155 40 0 DIABRM O=C([O-])c1n[nH]c(-c2ccc(Cl)cc2)c1Cc1cccs1 ZINC000072220443 257123971 /nfs/dbraw/zinc/12/39/71/257123971.db2.gz FHXTVOIQEXTGLN-UHFFFAOYSA-N -1 0 318.785 4.081 40 0 DIABRM Cc1c(C(=O)[O-])sc2nc(-c3ccc4ccccc4c3)cn12 ZINC000033418297 257129514 /nfs/dbraw/zinc/12/95/14/257129514.db2.gz OCRZVXIONOORTJ-UHFFFAOYSA-N -1 0 308.362 4.223 40 0 DIABRM COc1ccc(Br)c2sc(C(=O)[O-])c(Cl)c21 ZINC000228942234 257214622 /nfs/dbraw/zinc/21/46/22/257214622.db2.gz WHKBZMCGVZIKNH-UHFFFAOYSA-N -1 0 321.579 4.024 40 0 DIABRM CCCC[C@@H](C(=O)[O-])N1c2cc(OC)ccc2[C@H](C)CC1(C)C ZINC000260624708 333463451 /nfs/dbraw/zinc/46/34/51/333463451.db2.gz UGHPNAXRUVEIHY-CJNGLKHVSA-N -1 0 319.445 4.431 40 0 DIABRM Cc1ccc(-c2cc(=O)c3cc(C)c(C)c(C(=O)[O-])c3o2)cc1C ZINC000001620493 563288169 /nfs/dbraw/zinc/28/81/69/563288169.db2.gz QGDKQJBQKFFOBL-UHFFFAOYSA-N -1 0 322.360 4.392 40 0 DIABRM O=C([O-])c1ccc2ccccc2c1C(=O)c1ccc(Cl)cc1 ZINC000001689894 563291503 /nfs/dbraw/zinc/29/15/03/563291503.db2.gz LJKVUQCHMQCWEX-UHFFFAOYSA-N -1 0 310.736 4.422 40 0 DIABRM CC(C)c1ccc(C(O)(C(=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000001710995 563292711 /nfs/dbraw/zinc/29/27/11/563292711.db2.gz WFNUWRHILYVJAG-UHFFFAOYSA-N -1 0 312.409 4.254 40 0 in-vitro DIABRM CCCCC[C@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)[O-] ZINC000012496457 563370640 /nfs/dbraw/zinc/37/06/40/563370640.db2.gz CQSLTKIXAJTQGA-BTDPBSJTSA-N -1 0 314.466 4.050 40 0 endogenous,in-man DIABRM CCCOc1ccc(CNc2cccc(C(=O)[O-])c2)cc1Cl ZINC000076275154 563459579 /nfs/dbraw/zinc/45/95/79/563459579.db2.gz KNYBVEPMSCABJJ-UHFFFAOYSA-N -1 0 319.788 4.439 40 0 DIABRM CCOc1ccc2nccc(Nc3ccccc3C(=O)[O-])c2c1 ZINC000078401515 563512353 /nfs/dbraw/zinc/51/23/53/563512353.db2.gz OPZMZNPLRCZWIO-UHFFFAOYSA-N -1 0 308.337 4.075 40 0 DIABRM CCc1nc(CC(C)C)c(-c2ccccc2F)cc1C(=O)[O-] ZINC000585265236 563537007 /nfs/dbraw/zinc/53/70/07/563537007.db2.gz KAJPWWKAKIFWAM-UHFFFAOYSA-N -1 0 301.361 4.347 40 0 DIABRM C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)c1csc2ccccc21 ZINC000098086062 563543807 /nfs/dbraw/zinc/54/38/07/563543807.db2.gz FFKCRQWBLQYZHV-JTQLQIEISA-N -1 0 321.398 4.116 40 0 DIABRM CCCCC[C@H](CC)C(=O)c1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100921776 563554054 /nfs/dbraw/zinc/55/40/54/563554054.db2.gz LBIKQFGVWXYZPI-RDJZCZTQSA-N -1 0 314.429 4.201 40 0 DIABRM C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2C(=O)[O-] ZINC000118924804 563593662 /nfs/dbraw/zinc/59/36/62/563593662.db2.gz QKXFBVMFKBSRTD-NKURYSMOSA-N -1 0 318.457 4.011 40 0 DIABRM Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1Cl ZINC000006923937 563638423 /nfs/dbraw/zinc/63/84/23/563638423.db2.gz CIMGVSZMJOWEDF-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM COc1ccc(NC(=S)[N-]c2ccccc2SC)cc1 ZINC000006897181 563638949 /nfs/dbraw/zinc/63/89/49/563638949.db2.gz OEXRMNBDDKWJIE-UHFFFAOYSA-N -1 0 304.440 4.226 40 0 DIABRM CCC(C)(C)C(=O)Nc1ccccc1SC(C)(C)C(=O)[O-] ZINC000008732920 563644018 /nfs/dbraw/zinc/64/40/18/563644018.db2.gz VKPRGWHJIAWAJL-UHFFFAOYSA-N -1 0 309.431 4.017 40 0 DIABRM CC[C@@H](Sc1ccccc1NC(=O)C1CCCCC1)C(=O)[O-] ZINC000008732963 563644087 /nfs/dbraw/zinc/64/40/87/563644087.db2.gz YLTXTMVVPZMORB-CQSZACIVSA-N -1 0 321.442 4.161 40 0 DIABRM CC[C@@H](Sc1ccccc1NC(=O)CC(C)(C)C)C(=O)[O-] ZINC000008732928 563644092 /nfs/dbraw/zinc/64/40/92/563644092.db2.gz YZQXHVCBOSGZRW-GFCCVEGCSA-N -1 0 309.431 4.017 40 0 DIABRM CCCCN1c2cc(OC)c(C(=O)[O-])cc2[C@@H](C)CC1(C)C ZINC000223779356 563736551 /nfs/dbraw/zinc/73/65/51/563736551.db2.gz REGCJGDOLZPSDP-LBPRGKRZSA-N -1 0 305.418 4.286 40 0 DIABRM Cc1ccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])cc1C ZINC000225033958 563746693 /nfs/dbraw/zinc/74/66/93/563746693.db2.gz DGGUBMIZAAYVEG-QGZVFWFLSA-N -1 0 318.800 4.340 40 0 DIABRM CC(C)(C)c1ccc(O[C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000225053818 563747570 /nfs/dbraw/zinc/74/75/70/563747570.db2.gz FYVOCIBZFIGAHS-QGZVFWFLSA-N -1 0 316.372 4.198 40 0 DIABRM Cc1ccc(S[C@@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000225059976 563747825 /nfs/dbraw/zinc/74/78/25/563747825.db2.gz RTUYWBQFVPZDLS-HNNXBMFYSA-N -1 0 306.814 4.436 40 0 DIABRM Cc1ccc(S[C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1 ZINC000225060005 563747911 /nfs/dbraw/zinc/74/79/11/563747911.db2.gz RTUYWBQFVPZDLS-OAHLLOKOSA-N -1 0 306.814 4.436 40 0 DIABRM Cc1ccc(Cl)cc1C[C@H](Oc1ccccc1C)C(=O)[O-] ZINC000225076504 563747999 /nfs/dbraw/zinc/74/79/99/563747999.db2.gz MDRSQMPKFIKRPA-INIZCTEOSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1ccc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)[O-])cc1 ZINC000225076690 563748121 /nfs/dbraw/zinc/74/81/21/563748121.db2.gz XSIDPRRAGFSLOZ-MRXNPFEDSA-N -1 0 304.773 4.032 40 0 DIABRM CCOc1ccccc1C[C@H](Sc1ccc(C)cc1)C(=O)[O-] ZINC000225105539 563748552 /nfs/dbraw/zinc/74/85/52/563748552.db2.gz PHXKNTXGEYUANP-KRWDZBQOSA-N -1 0 316.422 4.182 40 0 DIABRM O=C([O-])[C@@H](Cc1cccc(Cl)c1Cl)Oc1ccccc1 ZINC000225081820 563748619 /nfs/dbraw/zinc/74/86/19/563748619.db2.gz IATHXEUJMYGJDW-CYBMUJFWSA-N -1 0 311.164 4.068 40 0 DIABRM O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)Oc1ccccc1 ZINC000225090108 563748689 /nfs/dbraw/zinc/74/86/89/563748689.db2.gz GWAWMXFXTDDJFJ-AWEZNQCLSA-N -1 0 311.164 4.068 40 0 DIABRM CCCO[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000225132505 563748966 /nfs/dbraw/zinc/74/89/66/563748966.db2.gz DTSIFSVKXQHQCJ-INIZCTEOSA-N -1 0 316.422 4.260 40 0 DIABRM Cc1cc(C)c(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)[O-])c(C)c1 ZINC000225136309 563749712 /nfs/dbraw/zinc/74/97/12/563749712.db2.gz JJNVFLGDDOTKCL-LJQANCHMSA-N -1 0 312.409 4.303 40 0 DIABRM CC(C)Oc1c(Br)cc(C(C)(C)C)cc1C(=O)[O-] ZINC000225283683 563751276 /nfs/dbraw/zinc/75/12/76/563751276.db2.gz DHKFWBDCDVOSTP-UHFFFAOYSA-N -1 0 315.207 4.232 40 0 DIABRM Cc1ccc(C)c(-c2cc(C(=O)[O-])nn2-c2ccccc2C)c1 ZINC000059472439 563770836 /nfs/dbraw/zinc/77/08/36/563770836.db2.gz YZTQONFPXVXQSM-UHFFFAOYSA-N -1 0 306.365 4.163 40 0 DIABRM Cc1cc(-c2ccc(/C=C/C(=O)[O-])o2)c(C)cc1Br ZINC000045957918 563888954 /nfs/dbraw/zinc/88/89/54/563888954.db2.gz ROMDKSNLJOVMKI-GQCTYLIASA-N -1 0 321.170 4.424 40 0 DIABRM Cc1ccc(C)c(NCc2n[n-]c(=S)n2-c2ccccc2)c1 ZINC000013522540 563920928 /nfs/dbraw/zinc/92/09/28/563920928.db2.gz PYTKFYXRSIHZPA-UHFFFAOYSA-N -1 0 310.426 4.159 40 0 DIABRM CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C ZINC000013109235 563929322 /nfs/dbraw/zinc/92/93/22/563929322.db2.gz ILQLITDRYFHAGM-DBVUQKKJSA-N -1 0 316.441 4.009 40 0 biogenic,in-vitro DIABRM C[C@]12CCC[C@](C)(C(=O)[O-])[C@H]1CC[C@]13C=C(CO)[C@H](C1)CC[C@@H]32 ZINC000036375256 574414330 /nfs/dbraw/zinc/41/43/30/574414330.db2.gz XEQHVCXFKPCQNM-INGAUJJTSA-N -1 0 318.457 4.013 40 0 endogenous,in-man DIABRM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(F)s2)cc1 ZINC000225388318 1039320893 /nfs/dbraw/zinc/32/08/93/1039320893.db2.gz DTVGQUOZBXVHNZ-JTQLQIEISA-N -1 0 313.419 4.202 40 0 DIABRM CC(C)(O)C1=CC2=CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@]3(C)[C@@H]2CC1 ZINC000014442187 1056438132 /nfs/dbraw/zinc/43/81/32/1056438132.db2.gz BYQLYGRDILHOFF-WOUAJJJCSA-N -1 0 318.457 4.321 40 0 DIABRM CCCCC(=O)Nc1cc(-c2ccc(C(=O)[O-])o2)ccc1C ZINC000226352283 201776806 /nfs/dbraw/zinc/77/68/06/201776806.db2.gz HRBBFUGRAUETMX-UHFFFAOYSA-N -1 0 301.342 4.082 40 0 DIABRM Cc1cc(C)cc(-c2cccc(CC3(C(=O)[O-])CCOCC3)c2)c1 ZINC000072344726 191128193 /nfs/dbraw/zinc/12/81/93/191128193.db2.gz HARNUJGQZIDQLT-UHFFFAOYSA-N -1 0 324.420 4.394 40 0 DIABRM Cc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000003911084 181057256 /nfs/dbraw/zinc/05/72/56/181057256.db2.gz MSRONJNJJKOOQE-UHFFFAOYSA-N -1 0 324.405 4.489 40 0 DIABRM C[C@]12C[C@@]3(CC1=O)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]1(C)[C@H]3CC2 ZINC000004894748 181169650 /nfs/dbraw/zinc/16/96/50/181169650.db2.gz KFVUFODCZDRVSS-SUKDQFRTSA-N -1 0 318.457 4.443 40 0 DIABRM O=C([O-])c1cc2sccc2n1Cc1c(F)cccc1Cl ZINC000005000276 181188136 /nfs/dbraw/zinc/18/81/36/181188136.db2.gz AWCQIPPRYVNBIQ-UHFFFAOYSA-N -1 0 309.749 4.242 40 0 DIABRM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccccc1Cl ZINC000006181589 181317792 /nfs/dbraw/zinc/31/77/92/181317792.db2.gz TWWBSHWGJXCZDS-VQHVLOKHSA-N -1 0 318.756 4.025 40 0 DIABRM Cc1ccc(S[C@H](Cc2ccc(C)cc2C)C(=O)[O-])cc1 ZINC000225026778 201683788 /nfs/dbraw/zinc/68/37/88/201683788.db2.gz ZOCURGBBZVHPIU-QGZVFWFLSA-N -1 0 300.423 4.400 40 0 DIABRM Cc1cc(C)cc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])c1 ZINC000225036804 201683939 /nfs/dbraw/zinc/68/39/39/201683939.db2.gz IABQKUOSSRWPAG-QGZVFWFLSA-N -1 0 318.800 4.340 40 0 DIABRM Cc1cccc(-c2nc(C)cc(Nc3ccc(C(=O)[O-])cc3)n2)c1 ZINC000008702973 181574908 /nfs/dbraw/zinc/57/49/08/181574908.db2.gz VPMOPPNCPYRVST-UHFFFAOYSA-N -1 0 319.364 4.202 40 0 DIABRM CCC(CC)C(=O)Nc1ccccc1S[C@@H](CC)C(=O)[O-] ZINC000008732891 181580028 /nfs/dbraw/zinc/58/00/28/181580028.db2.gz IHEFNXIDBCGGLP-ZDUSSCGKSA-N -1 0 309.431 4.017 40 0 DIABRM CCCCCCC(=O)Nc1ccccc1S[C@H](C)C(=O)[O-] ZINC000008732934 181581022 /nfs/dbraw/zinc/58/10/22/181581022.db2.gz SVOXTHGBFRQQQE-GFCCVEGCSA-N -1 0 309.431 4.161 40 0 DIABRM CC(C)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C ZINC000014410646 181951053 /nfs/dbraw/zinc/95/10/53/181951053.db2.gz GPFVBJYXFRIOFB-BWPNAZKDSA-N -1 0 316.441 4.396 40 0 biogenic,in-vitro DIABRM CCCCN(C(=O)Nc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000016638765 182055056 /nfs/dbraw/zinc/05/50/56/182055056.db2.gz IQBDCZMNIYUWLL-UHFFFAOYSA-N -1 0 312.369 4.223 40 0 DIABRM Cc1cccc(OCc2ccc(Br)cc2C(=O)[O-])c1 ZINC000072209155 257127945 /nfs/dbraw/zinc/12/79/45/257127945.db2.gz DIMJRFCUQIYLIV-UHFFFAOYSA-N -1 0 321.170 4.035 40 0 DIABRM Cc1ccccc1OCc1ccc(Br)cc1C(=O)[O-] ZINC000072209154 257127967 /nfs/dbraw/zinc/12/79/67/257127967.db2.gz FSZOZYAQSOYXDI-UHFFFAOYSA-N -1 0 321.170 4.035 40 0 DIABRM Cc1ccc(OCc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000072209156 257128174 /nfs/dbraw/zinc/12/81/74/257128174.db2.gz JZDJBJFDKYASJH-UHFFFAOYSA-N -1 0 321.170 4.035 40 0 DIABRM 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303.402 4.030 40 0 DIABRM CCCCC(=O)Nc1ccccc1S[C@H](CCC)C(=O)[O-] ZINC000008732841 563644147 /nfs/dbraw/zinc/64/41/47/563644147.db2.gz DUZFTKHIZMSSEQ-CQSZACIVSA-N -1 0 309.431 4.161 40 0 DIABRM CCN(c1ccccc1Sc1ccccc1)[C@@H](C)C(=O)[O-] ZINC000225004371 563746026 /nfs/dbraw/zinc/74/60/26/563746026.db2.gz NKJRBQNGBBZVIQ-ZDUSSCGKSA-N -1 0 301.411 4.137 40 0 DIABRM COc1ccc(OC)c2c1ccc(Cc1ccccc1)c2C(=O)[O-] ZINC000001618270 563287908 /nfs/dbraw/zinc/28/79/08/563287908.db2.gz GHXOMXYHZBZUIJ-UHFFFAOYSA-N -1 0 322.360 4.146 40 0 DIABRM Cc1cc2c(=O)cc(-c3ccccc3C)oc2c(C(=O)[O-])c1C ZINC000001620491 563287983 /nfs/dbraw/zinc/28/79/83/563287983.db2.gz UXTAMMYSHMKJCQ-UHFFFAOYSA-N -1 0 308.333 4.083 40 0 DIABRM O=C([O-])C1(Oc2ccccc2)c2ccccc2-c2ccccc21 ZINC000001676411 563290339 /nfs/dbraw/zinc/29/03/39/563290339.db2.gz UEYCHTKWKLZHAL-UHFFFAOYSA-N -1 0 302.329 4.074 40 0 DIABRM COc1ccc(C(CCCC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000001704032 563291841 /nfs/dbraw/zinc/29/18/41/563291841.db2.gz 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/nfs/dbraw/zinc/64/41/93/563644193.db2.gz ZRFYWNWURPZVRC-AAEUAGOBSA-N -1 0 309.431 4.017 40 0 DIABRM CCC(CC)C(=O)Nc1ccccc1S[C@H](CC)C(=O)[O-] ZINC000008732892 563644221 /nfs/dbraw/zinc/64/42/21/563644221.db2.gz IHEFNXIDBCGGLP-CYBMUJFWSA-N -1 0 309.431 4.017 40 0 DIABRM CCCCC(=O)Nc1ccccc1S[C@@H](CCC)C(=O)[O-] ZINC000008732840 563644353 /nfs/dbraw/zinc/64/43/53/563644353.db2.gz DUZFTKHIZMSSEQ-AWEZNQCLSA-N -1 0 309.431 4.161 40 0 DIABRM CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C ZINC000013109236 563656926 /nfs/dbraw/zinc/65/69/26/563656926.db2.gz ILQLITDRYFHAGM-AHRSYUTCSA-N -1 0 316.441 4.009 40 0 biogenic,in-vitro DIABRM Cc1cc(Br)ccc1-c1ccc(CCC(=O)[O-])o1 ZINC000216923251 563711786 /nfs/dbraw/zinc/71/17/86/563711786.db2.gz TWWBYBWFDGKZLA-UHFFFAOYSA-N -1 0 309.159 4.035 40 0 DIABRM C[C@H](C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1[Si](C)(C)C ZINC000219793457 563721754 /nfs/dbraw/zinc/72/17/54/563721754.db2.gz GHTGYOGNEFEWPU-LBPRGKRZSA-N -1 0 316.448 4.226 40 0 DIABRM CCCC[C@@H](C(=O)[O-])N1c2c(OC)cccc2[C@@H](C)CC1(C)C ZINC000223225134 563732468 /nfs/dbraw/zinc/73/24/68/563732468.db2.gz JXZRGYKHCKLWAV-ZFWWWQNUSA-N -1 0 319.445 4.431 40 0 DIABRM Cc1cccc(C[C@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])c1C ZINC000225022849 563746032 /nfs/dbraw/zinc/74/60/32/563746032.db2.gz YYJQLTAUBFXHQU-KRWDZBQOSA-N -1 0 318.800 4.340 40 0 DIABRM Cc1ccccc1C[C@H](Oc1cccc2ccccc21)C(=O)[O-] ZINC000225016224 563746183 /nfs/dbraw/zinc/74/61/83/563746183.db2.gz BCGPBIAPGSDPGE-IBGZPJMESA-N -1 0 306.361 4.223 40 0 DIABRM Cc1ccc(C[C@H](Sc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000225021487 563746261 /nfs/dbraw/zinc/74/62/61/563746261.db2.gz PMHWAUQBTMURDV-HNNXBMFYSA-N -1 0 306.814 4.436 40 0 DIABRM Cc1ccc(C[C@@H](Oc2ccccc2C(C)(C)C)C(=O)[O-])cc1 ZINC000225019973 563746418 /nfs/dbraw/zinc/74/64/18/563746418.db2.gz KOQRUECZYRMYML-GOSISDBHSA-N -1 0 312.409 4.367 40 0 DIABRM Cc1cccc(C[C@@H](Oc2ccc(Cl)c(C)c2)C(=O)[O-])c1C ZINC000225022810 563746437 /nfs/dbraw/zinc/74/64/37/563746437.db2.gz YYJQLTAUBFXHQU-QGZVFWFLSA-N -1 0 318.800 4.340 40 0 DIABRM Cc1ccc(C[C@H](Oc2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000225021201 563746456 /nfs/dbraw/zinc/74/64/56/563746456.db2.gz VPKSWWYOYRJWMB-IBGZPJMESA-N -1 0 306.361 4.223 40 0 DIABRM Cc1cc(C)c(C)c(O[C@H](Cc2ccc(C)c(C)c2)C(=O)[O-])c1 ZINC000225034584 563746860 /nfs/dbraw/zinc/74/68/60/563746860.db2.gz YEKPOPBMNHGRHZ-LJQANCHMSA-N -1 0 312.409 4.303 40 0 DIABRM CCc1ccc(C[C@@H](Oc2cccc3ccccc32)C(=O)[O-])cc1 ZINC000225043790 563747304 /nfs/dbraw/zinc/74/73/04/563747304.db2.gz FDQGKNBGFNXYPB-HXUWFJFHSA-N -1 0 320.388 4.477 40 0 DIABRM Cc1ccc(O[C@H](Cc2cccc(Cl)c2)C(=O)[O-])cc1C ZINC000225059643 563747949 /nfs/dbraw/zinc/74/79/49/563747949.db2.gz PELJLYCQIGFXNT-MRXNPFEDSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1ccccc1O[C@H](Cc1ccc(Cl)cc1C)C(=O)[O-] ZINC000225073074 563748016 /nfs/dbraw/zinc/74/80/16/563748016.db2.gz CRKUYRZXZRAMFI-MRXNPFEDSA-N -1 0 304.773 4.032 40 0 DIABRM Cc1ccc(O[C@H](Cc2cc(Cl)ccc2C)C(=O)[O-])cc1C ZINC000225077924 563748055 /nfs/dbraw/zinc/74/80/55/563748055.db2.gz KNLVTRQIRFFBRU-QGZVFWFLSA-N -1 0 318.800 4.340 40 0 DIABRM CC(C)O[C@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000225132610 563749094 /nfs/dbraw/zinc/74/90/94/563749094.db2.gz DGUZAUVFGJUJKW-MRXNPFEDSA-N -1 0 316.422 4.259 40 0 DIABRM CCO[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225135029 563749177 /nfs/dbraw/zinc/74/91/77/563749177.db2.gz SLDBJCRUJWQRSL-INIZCTEOSA-N -1 0 320.772 4.165 40 0 DIABRM Cc1cc(C)c(C[C@@H](Sc2ccccc2)C(=O)[O-])c(C)c1 ZINC000225137292 563749761 /nfs/dbraw/zinc/74/97/61/563749761.db2.gz XHAHYFUMKCBXMM-QGZVFWFLSA-N -1 0 300.423 4.400 40 0 DIABRM COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(=O)[O-])N2 ZINC000006954234 563921773 /nfs/dbraw/zinc/92/17/73/563921773.db2.gz HFZXILJZBOWVAM-PJIJBLCYSA-N -1 0 321.376 4.220 40 0 DIABRM Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)CC3)cc1 ZINC000226862292 563941237 /nfs/dbraw/zinc/94/12/37/563941237.db2.gz FRLXBYGGJDEHCG-UHFFFAOYSA-N -1 0 323.417 4.048 40 0 DIABRM C[C@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CC[C@]13C=C(CO)[C@H](C1)CC[C@@H]32 ZINC000036375254 574414336 /nfs/dbraw/zinc/41/43/36/574414336.db2.gz XEQHVCXFKPCQNM-RLYCNOAYSA-N -1 0 318.457 4.013 40 0 endogenous,in-man DIABRM CC(C)CC(=O)Nc1ccc(Cl)c(-c2ccc(C(=O)[O-])o2)c1 ZINC000226352448 201776558 /nfs/dbraw/zinc/77/65/58/201776558.db2.gz LMLRXYORGUPLAN-UHFFFAOYSA-N -1 0 321.760 4.283 40 0 DIABRM Cc1ccccc1[C@H]1c2c(C)cccc2C(=O)C[C@H]1CC(=O)[O-] ZINC000001601998 180877715 /nfs/dbraw/zinc/87/77/15/180877715.db2.gz MYVGZIGBDHZWOU-XOBRGWDASA-N -1 0 308.377 4.113 40 0 DIABRM CCCCC[C@@H]1O[C@H]1C[C@H]1O[C@H]1CCCCCCCC(=O)[O-] ZINC000004404040 181107539 /nfs/dbraw/zinc/10/75/39/181107539.db2.gz LAIUZQCFIABNDP-LUKYLMHMSA-N -1 0 312.450 4.307 40 0 in-vitro DIABRM O=C([O-])/C(=C\c1ccccc1O)c1ccc(Cl)cc1Cl ZINC000006222212 181321185 /nfs/dbraw/zinc/32/11/85/181321185.db2.gz QVSSOQHDVCNAHS-GHXNOFRVSA-N -1 0 309.148 4.324 40 0 DIABRM CS[C@@H](C(=O)[O-])c1cc(-c2c(Cl)cccc2Cl)no1 ZINC000006425280 181339705 /nfs/dbraw/zinc/33/97/05/181339705.db2.gz UGASFHWHGCTSCA-LLVKDONJSA-N -1 0 318.181 4.137 40 0 DIABRM CC[Si](CC)(CC)c1c(Cl)cc(C(=O)[O-])cc1Cl ZINC000195897132 201422611 /nfs/dbraw/zinc/42/26/11/201422611.db2.gz KTNHRQYRBCSGAI-UHFFFAOYSA-N -1 0 305.277 4.407 40 0 DIABRM O=C([O-])c1cn(C(=O)c2ccc3ccccc3c2)c2ccccc12 ZINC000216951201 201505275 /nfs/dbraw/zinc/50/52/75/201505275.db2.gz LOIKJQAKXPPBNE-UHFFFAOYSA-N -1 0 315.328 4.181 40 0 DIABRM CCCC[C@H](C(=O)[O-])N1c2c(OC)cccc2C(C)=CC1(C)C ZINC000223223888 201637280 /nfs/dbraw/zinc/63/72/80/201637280.db2.gz ZWIUPQUBYOWRMO-OAHLLOKOSA-N -1 0 317.429 4.341 40 0 DIABRM CCc1ccccc1C[C@@H](Sc1ccc(C)cc1)C(=O)[O-] ZINC000225041257 201684408 /nfs/dbraw/zinc/68/44/08/201684408.db2.gz NTSLUTVRTCGGOS-QGZVFWFLSA-N -1 0 300.423 4.345 40 0 DIABRM Cc1ccc(C[C@H](Sc2ccccc2)C(=O)[O-])cc1Cl ZINC000225080926 201685208 /nfs/dbraw/zinc/68/52/08/201685208.db2.gz LIHPTTYLHHTEGP-HNNXBMFYSA-N -1 0 306.814 4.436 40 0 DIABRM CCCCc1ccc(C[C@H](OCc2ccccc2)C(=O)[O-])cc1 ZINC000225130222 201687805 /nfs/dbraw/zinc/68/78/05/201687805.db2.gz NKODTYZVTSIORP-IBGZPJMESA-N -1 0 312.409 4.242 40 0 DIABRM CCOc1ccc(C(=O)[O-])cc1COc1cccc(Cl)c1 ZINC000224484748 201676197 /nfs/dbraw/zinc/67/61/97/201676197.db2.gz MGIZVZQIDXPLOO-UHFFFAOYSA-N -1 0 306.745 4.016 40 0 DIABRM COc1ccc(-c2cc(C(=O)[O-])cc3cc(OC)ccc32)cc1 ZINC000256027839 202922065 /nfs/dbraw/zinc/92/20/65/202922065.db2.gz FPCZKAPTXDFZHY-UHFFFAOYSA-N -1 0 308.333 4.222 40 0 DIABRM O=C([O-])c1ccc(OCc2nc(-c3cccs3)cs2)cc1 ZINC000011851373 181712008 /nfs/dbraw/zinc/71/20/08/181712008.db2.gz HTWBPISLKFQGCL-UHFFFAOYSA-N -1 0 317.391 4.149 40 0 DIABRM CC(C)(O)c1ccc2c(c1)CC[C@@H]1[C@](C)(C(=O)[O-])CCC[C@]21C ZINC000013109237 181828819 /nfs/dbraw/zinc/82/88/19/181828819.db2.gz ILQLITDRYFHAGM-PWIZWCRZSA-N -1 0 316.441 4.009 40 0 biogenic,in-vitro DIABRM CCOc1ccc(C(=O)[O-])cc1COc1ccc(Cl)c(C)c1 ZINC000024549471 182383232 /nfs/dbraw/zinc/38/32/32/182383232.db2.gz KWSLUCHLUQNIHX-UHFFFAOYSA-N -1 0 320.772 4.324 40 0 DIABRM COc1cccc(COCc2ccc3ccccc3c2)c1C(=O)[O-] ZINC000035973483 182790614 /nfs/dbraw/zinc/79/06/14/182790614.db2.gz RNCGWYYJNNHBNB-UHFFFAOYSA-N -1 0 322.360 4.263 40 0 DIABRM Cc1cc(-c2ccc(/C=C/C(=O)[O-])o2)cc(C)c1Br ZINC000045888714 183534451 /nfs/dbraw/zinc/53/44/51/183534451.db2.gz NZKIVUWEWCKTPF-GQCTYLIASA-N -1 0 321.170 4.424 40 0 DIABRM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000010775549 333053686 /nfs/dbraw/zinc/05/36/86/333053686.db2.gz ATGQSDCREXSVMI-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM CC1=CC(C)(C)N([C@H](C(=O)[O-])C(C)C)c2ccc(Cl)cc21 ZINC000260616143 333424938 /nfs/dbraw/zinc/42/49/38/333424938.db2.gz FVBUHOWMESBCSR-HNNXBMFYSA-N -1 0 307.821 4.451 40 0 DIABRM Cc1ccccc1[C@@H]1c2c(C)cccc2C(=O)C[C@@H]1CC(=O)[O-] ZINC000001602001 563287345 /nfs/dbraw/zinc/28/73/45/563287345.db2.gz MYVGZIGBDHZWOU-JLTOFOAXSA-N -1 0 308.377 4.113 40 0 DIABRM COc1ccc(OC)c(C(=O)CCCCCCCCC(=O)[O-])c1 ZINC000001755222 563295121 /nfs/dbraw/zinc/29/51/21/563295121.db2.gz FWMNDGPJWCWCFZ-UHFFFAOYSA-N -1 0 322.401 4.092 40 0 DIABRM COc1cccc(COCc2cccc3ccccc32)c1C(=O)[O-] ZINC000035973493 563454157 /nfs/dbraw/zinc/45/41/57/563454157.db2.gz OGNIFRCJWNFRKD-UHFFFAOYSA-N -1 0 322.360 4.263 40 0 DIABRM Cc1ccc(N2N=C(C(=O)[O-])C[C@H]2c2ccccc2)cc1Cl ZINC000071979085 563501919 /nfs/dbraw/zinc/50/19/19/563501919.db2.gz QZEXXLHETOKFQO-INIZCTEOSA-N -1 0 314.772 4.040 40 0 DIABRM CCOc1cccc2c(Nc3ccccc3C(=O)[O-])cc(C)nc12 ZINC000078401715 563513177 /nfs/dbraw/zinc/51/31/77/563513177.db2.gz UNGGTRWVYYMLCH-UHFFFAOYSA-N -1 0 322.364 4.384 40 0 DIABRM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000008715559 563523312 /nfs/dbraw/zinc/52/33/12/563523312.db2.gz KGVSNENHIDVPNE-VHSXEESVSA-N -1 0 301.169 4.067 40 0 DIABRM CC(C)(C)c1cc([C@@H]2OC(=N)C(O)=C2[O-])cc(C(C)(C)C)c1O ZINC000104240541 563563310 /nfs/dbraw/zinc/56/33/10/563563310.db2.gz MPEGYWCXTIWOPC-HNNXBMFYSA-N -1 0 319.401 4.363 40 0 DIABRM CCOc1ccc(C(=O)[O-])cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000006963866 563596802 /nfs/dbraw/zinc/59/68/02/563596802.db2.gz FKVPRRPHNKZPTR-VXLYETTFSA-N -1 0 317.772 4.496 40 0 DIABRM O=c1cc(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)[n-]n21 ZINC000000334345 563629926 /nfs/dbraw/zinc/62/99/26/563629926.db2.gz SGBJRBHMCXUOCU-UHFFFAOYSA-N -1 0 321.767 4.010 40 0 DIABRM CCC[C@H](Sc1ccccc1NC(=O)CC(C)(C)C)C(=O)[O-] ZINC000008732930 563644196 /nfs/dbraw/zinc/64/41/96/563644196.db2.gz MTJZYFBGSMBLKU-AWEZNQCLSA-N -1 0 323.458 4.407 40 0 DIABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1Cl ZINC000008906786 563644986 /nfs/dbraw/zinc/64/49/86/563644986.db2.gz SCZFMGGFXOZIEC-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000013391074 563658111 /nfs/dbraw/zinc/65/81/11/563658111.db2.gz UJGUFKHMBBSKKS-UHFFFAOYSA-N -1 0 324.163 4.252 40 0 DIABRM CCC[C@@H](C(=O)[O-])N1c2c(OC)cccc2[C@@H](C)CC1(C)C ZINC000223217330 563731761 /nfs/dbraw/zinc/73/17/61/563731761.db2.gz ISWPTTUXTGXZAD-JSGCOSHPSA-N -1 0 305.418 4.041 40 0 DIABRM Cc1cccc2c1N(Cc1ccc(C(=O)[O-])o1)C(C)(C)C=C2C ZINC000223232137 563732425 /nfs/dbraw/zinc/73/24/25/563732425.db2.gz URICOHSVMBMBMZ-UHFFFAOYSA-N -1 0 311.381 4.488 40 0 DIABRM CC1=CC(C)(C)N(Cc2ccc(C(=O)[O-])o2)c2ccc(F)cc21 ZINC000223232309 563732583 /nfs/dbraw/zinc/73/25/83/563732583.db2.gz XTWAXQHJNRBIDO-UHFFFAOYSA-N -1 0 315.344 4.319 40 0 DIABRM O=c1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)c[n-]n21 ZINC000027586320 563739889 /nfs/dbraw/zinc/73/98/89/563739889.db2.gz LEZMKRYYDSNDIU-UHFFFAOYSA-N -1 0 321.767 4.010 40 0 DIABRM CCOc1ccc(-c2cnc(-c3ccccc3C(=O)[O-])o2)cc1 ZINC000224915001 563744982 /nfs/dbraw/zinc/74/49/82/563744982.db2.gz KCSOHIBLSJAVSF-UHFFFAOYSA-N -1 0 309.321 4.106 40 0 DIABRM O=C([O-])[C@@H](Cc1ccc(F)cc1)Oc1cccc2ccccc21 ZINC000225054729 563747268 /nfs/dbraw/zinc/74/72/68/563747268.db2.gz NEQXJGIUTKAGPL-GOSISDBHSA-N -1 0 310.324 4.054 40 0 DIABRM Cc1cccc(O[C@H](Cc2ccc(Cl)cc2C)C(=O)[O-])c1 ZINC000225073175 563748066 /nfs/dbraw/zinc/74/80/66/563748066.db2.gz BBYQFAPVZAMXCJ-MRXNPFEDSA-N -1 0 304.773 4.032 40 0 DIABRM CCOc1ccccc1C[C@@H](Sc1ccc(C)cc1)C(=O)[O-] ZINC000225105502 563748445 /nfs/dbraw/zinc/74/84/45/563748445.db2.gz PHXKNTXGEYUANP-QGZVFWFLSA-N -1 0 316.422 4.182 40 0 DIABRM CCCCc1ccc(C[C@H](Oc2ccc(C)cc2)C(=O)[O-])cc1 ZINC000225127836 563749060 /nfs/dbraw/zinc/74/90/60/563749060.db2.gz HQHCGTPPCXOLFN-IBGZPJMESA-N -1 0 312.409 4.412 40 0 DIABRM CCCO[C@H](Cc1ccccc1Sc1ccccc1)C(=O)[O-] ZINC000225132543 563749098 /nfs/dbraw/zinc/74/90/98/563749098.db2.gz DTSIFSVKXQHQCJ-MRXNPFEDSA-N -1 0 316.422 4.260 40 0 DIABRM CCO[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)[O-] ZINC000225135064 563749117 /nfs/dbraw/zinc/74/91/17/563749117.db2.gz SLDBJCRUJWQRSL-MRXNPFEDSA-N -1 0 320.772 4.165 40 0 DIABRM O=C([O-])c1ccc(Cc2ccco2)n1Cc1ccc(Cl)cc1 ZINC000226031850 563768370 /nfs/dbraw/zinc/76/83/70/563768370.db2.gz XEESRIJOTBNGDS-UHFFFAOYSA-N -1 0 315.756 4.072 40 0 DIABRM O=C([O-])c1cc2nc(-c3ccc(Cl)cc3)[nH]c2c(Cl)c1 ZINC000216922147 563858736 /nfs/dbraw/zinc/85/87/36/563858736.db2.gz CXXCMUHCGHMKNQ-UHFFFAOYSA-N -1 0 307.136 4.235 40 0 DIABRM O=C([O-])Cc1ccc(-c2nc3ccc(F)cc3s2)cc1Cl ZINC000045923343 563889090 /nfs/dbraw/zinc/88/90/90/563889090.db2.gz ZWTOTTDLSSSXTM-UHFFFAOYSA-N -1 0 321.760 4.383 40 0 DIABRM Cc1ccsc1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)[O-] ZINC000007342950 563921912 /nfs/dbraw/zinc/92/19/12/563921912.db2.gz DWYJFQBWOSTQMR-JYRVWZFOSA-N -1 0 316.407 4.151 40 0 DIABRM O=C([O-])c1ccc(-c2ccc(Cl)cc2Cl)nc1Cl ZINC000012357252 563928654 /nfs/dbraw/zinc/92/86/54/563928654.db2.gz WLYFGNGVTNENPV-UHFFFAOYSA-N -1 0 302.544 4.407 40 0 DIABRM