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)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000004679938 210245755 /nfs/dbraw/zinc/24/57/55/210245755.db2.gz HDCVNZBLSZJSRB-BJMVGYQFSA-N -1 0 343.810 4.814 50 0 EJAARM CCCCC1CCC([C@@H](C)OC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000004659043 210239715 /nfs/dbraw/zinc/23/97/15/210239715.db2.gz PVGZFRRNZJEOQV-QQFBHYJXSA-N -1 0 332.440 4.927 50 0 EJAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000004123314 210126668 /nfs/dbraw/zinc/12/66/68/210126668.db2.gz ZXHCMKPAXABHSR-UHFFFAOYSA-N -1 0 330.796 4.905 50 0 EJAARM O=C([O-])COc1ccccc1[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@@H]21 ZINC000004028229 210103734 /nfs/dbraw/zinc/10/37/34/210103734.db2.gz IUZPOFVYQIAPHI-NNNWTRQLSA-N -1 0 342.435 4.507 50 0 biogenic EJAARM O=C([O-])c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000004011095 201586713 /nfs/dbraw/zinc/58/67/13/201586713.db2.gz LRYRYLONUXSKTL-NRFANRHFSA-N -1 0 342.398 4.741 50 0 EJAARM O=C([O-])c1cc(/C=C/c2ccc(OC(F)F)cc2)nc2ccccc21 ZINC000006345124 201679473 /nfs/dbraw/zinc/67/94/73/201679473.db2.gz URKBIQLGHNBDCJ-VMPITWQZSA-N -1 0 341.313 4.705 50 0 EJAARM O=C([O-])c1ccccc1CSc1ccc(N2CCCCC2)cc1 ZINC000000347473 205439021 /nfs/dbraw/zinc/43/90/21/205439021.db2.gz CZRNFWCUUAGUCQ-UHFFFAOYSA-N -1 0 327.449 4.667 50 0 EJAARM O=C([O-])c1ccccc1SCc1csc(Nc2ccccc2)n1 ZINC000012606786 211422109 /nfs/dbraw/zinc/42/21/09/211422109.db2.gz GSIRODTUXNWZBS-UHFFFAOYSA-N -1 0 342.445 4.877 50 0 EJAARM O=C([O-])c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 ZINC000012505508 211395260 /nfs/dbraw/zinc/39/52/60/211395260.db2.gz OCMYLDIORBKQFT-UHFFFAOYSA-N -1 0 339.203 4.606 50 0 EJAARM Cc1nc(-c2ccc(Oc3ccc(C)cc3)cc2)sc1C(=O)[O-] ZINC000011896584 211265299 /nfs/dbraw/zinc/26/52/99/211265299.db2.gz GVHFTHPYTODGIW-UHFFFAOYSA-N -1 0 325.389 4.917 50 0 EJAARM CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1 ZINC000009436885 211083272 /nfs/dbraw/zinc/08/32/72/211083272.db2.gz JVCNBFISYMUBAO-UHFFFAOYSA-N -1 0 328.799 4.810 50 0 EJAARM O=C([O-])C/C(=C\c1ccccc1Cl)c1nc2ccccc2s1 ZINC000006410765 210629281 /nfs/dbraw/zinc/62/92/81/210629281.db2.gz SRBKRISHGKNMNQ-FMIVXFBMSA-N -1 0 329.808 4.965 50 0 EJAARM N#Cc1ccc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc1 ZINC000096767637 218889914 /nfs/dbraw/zinc/88/99/14/218889914.db2.gz LKNBEDPLAHSNHY-PTNGSMBKSA-N -1 0 334.400 4.573 50 0 EJAARM O=C([O-])C/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000005020563 210363669 /nfs/dbraw/zinc/36/36/69/210363669.db2.gz RVYJVEHNWOKCBK-FMIVXFBMSA-N -1 0 329.808 4.965 50 0 EJAARM CC(C)Cc1csc(NC(=O)c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000004865587 210304627 /nfs/dbraw/zinc/30/46/27/210304627.db2.gz LOHYQHHVIJAKCW-UHFFFAOYSA-N -1 0 337.828 4.551 50 0 EJAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1c1ccccc1 ZINC000004800605 210280261 /nfs/dbraw/zinc/28/02/61/210280261.db2.gz GZFUVVNXJDDLBT-ZGJBTBESSA-N -1 0 326.395 4.762 50 0 EJAARM COc1ccc(-c2cc(C(=O)[O-])cc(-c3ccc(Cl)cc3)n2)cc1 ZINC000328578956 258017144 /nfs/dbraw/zinc/01/71/44/258017144.db2.gz BOBIYUQLYDGEHH-UHFFFAOYSA-N -1 0 339.778 4.776 50 0 EJAARM [O-]c1ccccc1-c1nc2ccccc2c(NCCc2ccccc2)n1 ZINC000000119387 563233706 /nfs/dbraw/zinc/23/37/06/563233706.db2.gz WAOBBSDPIQFRNV-UHFFFAOYSA-N -1 0 341.414 4.657 50 0 EJAARM FC(F)(F)c1cccc(-n2c(Cc3ccccc3)n[n-]c2=S)c1 ZINC000000159499 563248471 /nfs/dbraw/zinc/24/84/71/563248471.db2.gz CFWNGZCINJXDFF-UHFFFAOYSA-N -1 0 335.354 4.539 50 0 EJAARM O=C([O-])Cc1sc(Nc2ccccc2Cl)nc1-c1ccccc1 ZINC000000253259 563266911 /nfs/dbraw/zinc/26/69/11/563266911.db2.gz AYHJILIKAKUUNP-UHFFFAOYSA-N -1 0 344.823 4.834 50 0 EJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)cc1 ZINC000002526033 563439047 /nfs/dbraw/zinc/43/90/47/563439047.db2.gz OLVPQAYESQGLKG-UHFFFAOYSA-N -1 0 341.794 4.961 50 0 EJAARM Cc1ccc(C)c(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])c1 ZINC000003065167 563470464 /nfs/dbraw/zinc/47/04/64/563470464.db2.gz LVXAYWFXDOVYAT-UHFFFAOYSA-N -1 0 338.190 4.561 50 0 EJAARM CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000003107842 563472586 /nfs/dbraw/zinc/47/25/86/563472586.db2.gz XBFFWUXQRIRPCQ-KRWDZBQOSA-N -1 0 349.430 4.907 50 0 EJAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1ccccc1Cl ZINC000005731330 563547604 /nfs/dbraw/zinc/54/76/04/563547604.db2.gz NVWFOLBTOQENGO-UHFFFAOYSA-N -1 0 340.684 4.838 50 0 EJAARM Cc1cc([O-])cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c12 ZINC000005730270 563547711 /nfs/dbraw/zinc/54/77/11/563547711.db2.gz PYQVOHMOWRGDAE-UHFFFAOYSA-N -1 0 336.265 4.618 50 0 EJAARM CC(C)Cn1c2ccccc2nc1SCc1ccc(C(=O)[O-])cc1 ZINC000013354752 563697128 /nfs/dbraw/zinc/69/71/28/563697128.db2.gz RALPICVJXVCILE-UHFFFAOYSA-N -1 0 340.448 4.683 50 0 EJAARM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(Cl)s1 ZINC000014254989 563756029 /nfs/dbraw/zinc/75/60/29/563756029.db2.gz XNDGXUNADDLORB-UHFFFAOYSA-N -1 0 342.656 4.509 50 0 EJAARM O=c1c2c3c(sc2[n-]c(=S)n1CC1CCCCC1)CCCC3 ZINC000000246460 563989371 /nfs/dbraw/zinc/98/93/71/563989371.db2.gz RPSQPECKICFOHJ-UHFFFAOYSA-N -1 0 334.510 4.580 50 0 EJAARM CCCC1CCC(c2ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc2)CC1 ZINC000000248477 563989467 /nfs/dbraw/zinc/98/94/67/563989467.db2.gz SKMKUWKJBZSEJH-LADRWXRNSA-N -1 0 345.483 4.600 50 0 EJAARM Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)[O-])c1C ZINC000000349866 564012377 /nfs/dbraw/zinc/01/23/77/564012377.db2.gz SZWFRYMHGAWGCD-UHFFFAOYSA-N -1 0 331.437 4.613 50 0 EJAARM O=C(c1cnn(-c2ccc(Cl)cc2)c1)c1ccc2ccccc2c1[O-] ZINC000001395041 564064688 /nfs/dbraw/zinc/06/46/88/564064688.db2.gz AAVXNQNPPFTKDA-UHFFFAOYSA-N -1 0 348.789 4.616 50 0 EJAARM Cc1ccc2nc(-c3ccc(OCC(C)C)cc3)cc(C(=O)[O-])c2c1 ZINC000001457152 564072951 /nfs/dbraw/zinc/07/29/51/564072951.db2.gz OZDHGHFHVPVQPZ-UHFFFAOYSA-N -1 0 335.403 4.943 50 0 EJAARM COc1ccc([C@H]2CC(=S)[N-]c3ccccc3S2)cc1OC ZINC000075279640 564081457 /nfs/dbraw/zinc/08/14/57/564081457.db2.gz JDPQNOIKVPEEST-MRXNPFEDSA-N -1 0 331.462 4.680 50 0 EJAARM CC[C@H](C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000006651661 564095466 /nfs/dbraw/zinc/09/54/66/564095466.db2.gz RTQYZZWOCNGSSR-JTQLQIEISA-N -1 0 329.874 4.716 50 0 EJAARM Cc1ccccc1-c1cc(C(=O)[O-])c2ccc(Br)cc2n1 ZINC000006861257 564099890 /nfs/dbraw/zinc/09/98/90/564099890.db2.gz OGDSVVIPGYAVFB-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM Cc1ccc(COc2c(Cl)cc(/C=C/C(=O)[O-])cc2Cl)cc1 ZINC000033746706 564128409 /nfs/dbraw/zinc/12/84/09/564128409.db2.gz TTZTWTQBLBNUHU-VOTSOKGWSA-N -1 0 337.202 4.979 50 0 EJAARM O=C([O-])Oc1ccccc1Oc1cc(Cl)cc(C(F)(F)F)n1 ZINC000091302213 564133070 /nfs/dbraw/zinc/13/30/70/564133070.db2.gz MZWMYPOKXZYAIF-UHFFFAOYSA-N -1 0 333.649 4.603 50 0 EJAARM O=C([O-])CC/C(=C\c1csc(C2CC2)n1)c1nc2ccccc2o1 ZINC000096296779 564146563 /nfs/dbraw/zinc/14/65/63/564146563.db2.gz CFNCRJHFACKQAJ-FMIVXFBMSA-N -1 0 340.404 4.567 50 0 EJAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccc(OCC(C)C)cc3)nc12 ZINC000004652230 210238205 /nfs/dbraw/zinc/23/82/05/210238205.db2.gz ZBAVSUIDASGRSF-UHFFFAOYSA-N -1 0 335.403 4.943 50 0 EJAARM CCc1cc2c(cc1[O-])oc(C)c(-c1nc3ccccc3s1)c2=O ZINC000004020013 210101599 /nfs/dbraw/zinc/10/15/99/210101599.db2.gz QAOFNXJEBHMTIN-UHFFFAOYSA-N -1 0 337.400 4.646 50 0 EJAARM Cc1[n-]n2c(nc(C)c(CCC(C)C)c2=O)c1-c1ccc(Cl)cc1 ZINC000102080770 219184867 /nfs/dbraw/zinc/18/48/67/219184867.db2.gz KESLSFDJYUQVQF-UHFFFAOYSA-N -1 0 343.858 4.961 50 0 EJAARM [O-]c1ccccc1-c1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000003419287 210033857 /nfs/dbraw/zinc/03/38/57/210033857.db2.gz YNJRKXVCRCMYBO-UHFFFAOYSA-N -1 0 325.371 4.578 50 0 EJAARM CCCCc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c1=O ZINC000102724749 219225277 /nfs/dbraw/zinc/22/52/77/219225277.db2.gz ZNYLIJKBEAJKTK-UHFFFAOYSA-N -1 0 329.831 4.715 50 0 EJAARM Cc1ccccc1-n1nc(-c2ccc(CC(C)C)cc2)cc1C(=O)[O-] ZINC000025762341 202136007 /nfs/dbraw/zinc/13/60/07/202136007.db2.gz XDKBIRZZHAQDFE-UHFFFAOYSA-N -1 0 334.419 4.744 50 0 EJAARM Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)[O-])c2c1 ZINC000000188879 209473311 /nfs/dbraw/zinc/47/33/11/209473311.db2.gz TXXDVCJNYMPINL-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM O=C(c1ccccc1Br)c1cc(Cl)cc(Cl)c1[O-] ZINC000000058216 209392827 /nfs/dbraw/zinc/39/28/27/209392827.db2.gz SAXJQZKMFCUNDE-UHFFFAOYSA-N -1 0 346.007 4.693 50 0 EJAARM CC(CCCCCCCCCCCCCCCO)(C(=O)[O-])C(=O)[O-] ZINC000004023232 201360482 /nfs/dbraw/zinc/36/04/82/201360482.db2.gz RCYAPYHSCPWJQF-UHFFFAOYSA-N -1 0 344.492 4.616 50 0 biogenic EJAARM CCCCCc1ccc(NC2([P@@](=O)([O-])O)CCCCC2)cc1 ZINC000012526556 211398553 /nfs/dbraw/zinc/39/85/53/211398553.db2.gz XMMVFQTVIMOJFV-UHFFFAOYSA-N -1 0 325.389 4.669 50 0 EJAARM Cc1ccc(-c2ccc(CCC(=O)Nc3ccc(C(=O)[O-])cc3)o2)cc1 ZINC000011690425 211235918 /nfs/dbraw/zinc/23/59/18/211235918.db2.gz UPCFBRYAZJHXLN-UHFFFAOYSA-N -1 0 349.386 4.525 50 0 EJAARM CC(C)CCn1c(=O)c2c(-c3cccs3)csc2[n-]c1=S ZINC000006459349 210636329 /nfs/dbraw/zinc/63/63/29/210636329.db2.gz JWSABAQZQJSWGW-UHFFFAOYSA-N -1 0 336.507 4.895 50 0 EJAARM Cc1ccc(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004983752 210347977 /nfs/dbraw/zinc/34/79/77/210347977.db2.gz IWFVTRRJLXXKDQ-UHFFFAOYSA-N -1 0 325.481 4.706 50 0 EJAARM COc1ccc(Cl)cc1C(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000004843122 210296347 /nfs/dbraw/zinc/29/63/47/210296347.db2.gz WPBXDQOAAWKIST-UHFFFAOYSA-N -1 0 346.597 4.613 50 0 EJAARM Cc1onc(-c2ccc(Oc3ccc(Cl)cc3)cc2)c1C(=O)[O-] ZINC000328579112 258017117 /nfs/dbraw/zinc/01/71/17/258017117.db2.gz RXBWWROPZMDSRU-UHFFFAOYSA-N -1 0 329.739 4.794 50 0 EJAARM O=C([O-])c1ccccc1NC(=O)c1sc2ccccc2c1Cl ZINC000000042153 563212969 /nfs/dbraw/zinc/21/29/69/563212969.db2.gz KMJLPUAJJSYJJO-UHFFFAOYSA-N -1 0 331.780 4.505 50 0 EJAARM COc1ccc(-c2c(=O)c3ccc([O-])cc3oc2-c2ccccc2)cc1 ZINC000000084909 563219719 /nfs/dbraw/zinc/21/97/19/563219719.db2.gz SWPPYAOGXZXFBI-UHFFFAOYSA-N -1 0 344.366 4.841 50 0 EJAARM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])cc1C ZINC000000191340 563256632 /nfs/dbraw/zinc/25/66/32/563256632.db2.gz MJXWRLYQSQTYDW-UHFFFAOYSA-N -1 0 338.190 4.561 50 0 EJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)s1 ZINC000000205004 563259356 /nfs/dbraw/zinc/25/93/56/563259356.db2.gz CLZOZMVUPORLTR-UHFFFAOYSA-N -1 0 348.221 4.732 50 0 EJAARM Cc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c(C)c1 ZINC000000282896 563272210 /nfs/dbraw/zinc/27/22/10/563272210.db2.gz TUNPGETVNGGGQU-UHFFFAOYSA-N -1 0 344.263 4.719 50 0 EJAARM CC(C)Cc1ccc(COc2ccc(CC(=O)[O-])cc2Cl)cc1 ZINC000000392290 563304398 /nfs/dbraw/zinc/30/43/98/563304398.db2.gz LNGNTTDTWJWVTL-UHFFFAOYSA-N -1 0 332.827 4.745 50 0 EJAARM Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1C ZINC000000455101 563323333 /nfs/dbraw/zinc/32/33/33/563323333.db2.gz ULCYXPPTGZCIBH-UHFFFAOYSA-N -1 0 345.398 4.921 50 0 EJAARM CSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1C(=O)[O-] ZINC000001382728 563384639 /nfs/dbraw/zinc/38/46/39/563384639.db2.gz LFNWENISFRVEBE-UHFFFAOYSA-N -1 0 329.808 4.975 50 0 EJAARM O=C([O-])c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000004999083 563518246 /nfs/dbraw/zinc/51/82/46/563518246.db2.gz LLEPTGSHAUWPKK-UHFFFAOYSA-N -1 0 341.219 4.501 50 0 EJAARM Cc1nc(Nc2ccc(Oc3ccccc3)cc2)sc1C(=O)[O-] ZINC000008024661 563619707 /nfs/dbraw/zinc/61/97/07/563619707.db2.gz WJXHSCMCRCLBNQ-UHFFFAOYSA-N -1 0 326.377 4.686 50 0 EJAARM CC[C@@H](C)c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000025206323 563882328 /nfs/dbraw/zinc/88/23/28/563882328.db2.gz UIRARYZNPMYLGD-ACJLOTCBSA-N -1 0 343.398 4.536 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1Cl ZINC000025762391 563888030 /nfs/dbraw/zinc/88/80/30/563888030.db2.gz RSKMJAFPWSZYCB-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM Cc1ccc(NCc2n[n-]c(=S)n2-c2ccccc2)cc1Cl ZINC000006533881 563929789 /nfs/dbraw/zinc/92/97/89/563929789.db2.gz ZMWPHFCACAUBNV-UHFFFAOYSA-N -1 0 330.844 4.504 50 0 EJAARM O=C([O-])c1c(-c2cccs2)csc1NC(=O)c1ccccc1F ZINC000000235478 563989080 /nfs/dbraw/zinc/98/90/80/563989080.db2.gz QVGXQDJYVQXPSV-UHFFFAOYSA-N -1 0 347.392 4.566 50 0 EJAARM CC[C@H]1CCCCN1c1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000005562113 564005593 /nfs/dbraw/zinc/00/55/93/564005593.db2.gz IEGDVRGHVDVMGS-HNNXBMFYSA-N -1 0 333.435 4.771 50 0 EJAARM CC(C)(C)C1CCC(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000012791165 564019183 /nfs/dbraw/zinc/01/91/83/564019183.db2.gz XMSVADGRUSNWEF-UHFFFAOYSA-N -1 0 337.847 4.829 50 0 EJAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000000567253 564023413 /nfs/dbraw/zinc/02/34/13/564023413.db2.gz FQNMZZWTVZAMJM-FMIVXFBMSA-N -1 0 348.398 4.915 50 0 EJAARM Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1 ZINC000003655316 564060168 /nfs/dbraw/zinc/06/01/68/564060168.db2.gz WODGLDFILFDPEA-UHFFFAOYSA-N -1 0 345.354 4.818 50 0 EJAARM CC(C)n1cc(C(=O)c2ccccc2[O-])cc1-c1nc2ccccc2o1 ZINC000012810182 564072577 /nfs/dbraw/zinc/07/25/77/564072577.db2.gz UAROSXNHSUKEMZ-UHFFFAOYSA-N -1 0 346.386 4.814 50 0 EJAARM COc1ccc2ncc3c(sc(C(=O)[O-])c3-c3ccccc3)c2c1 ZINC000015828900 564075765 /nfs/dbraw/zinc/07/57/65/564075765.db2.gz XSJAHRBAWJLHCH-UHFFFAOYSA-N -1 0 335.384 4.823 50 0 EJAARM COc1ccc([C@@H]2CC(=S)[N-]c3ccccc3S2)cc1OC ZINC000075279639 564081456 /nfs/dbraw/zinc/08/14/56/564081456.db2.gz JDPQNOIKVPEEST-INIZCTEOSA-N -1 0 331.462 4.680 50 0 EJAARM Cc1ccc(C(=O)C[C@@H](SCC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000001896376 564089171 /nfs/dbraw/zinc/08/91/71/564089171.db2.gz UTRLTXVZWADCSN-QGZVFWFLSA-N -1 0 348.851 4.780 50 0 EJAARM O=S(=O)([N-]c1ccc2oc3ccccc3c2c1)c1ccccc1F ZINC000016127615 564091355 /nfs/dbraw/zinc/09/13/55/564091355.db2.gz HBDPZJWFHLGNAF-UHFFFAOYSA-N -1 0 341.363 4.526 50 0 EJAARM CC[C@@H](C)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000006651183 564095419 /nfs/dbraw/zinc/09/54/19/564095419.db2.gz RTQYZZWOCNGSSR-SNVBAGLBSA-N -1 0 329.874 4.716 50 0 EJAARM O=C([O-])c1ccccc1C(=O)c1ccc2sc3ccccc3c2c1 ZINC000000400149 564118874 /nfs/dbraw/zinc/11/88/74/564118874.db2.gz VQILOYSAQXLEAU-UHFFFAOYSA-N -1 0 332.380 4.984 50 0 EJAARM O=C([O-])CCc1c2cccc(Br)c2[nH]c1-c1ccccc1 ZINC000585139534 564134020 /nfs/dbraw/zinc/13/40/20/564134020.db2.gz UDQBWCIDLUPERI-UHFFFAOYSA-N -1 0 344.208 4.615 50 0 EJAARM C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004024647 564160086 /nfs/dbraw/zinc/16/00/86/564160086.db2.gz NPBNRBWMDNZEBN-PHMHBDBESA-N -1 0 346.511 4.647 50 0 biogenic EJAARM Fc1ccc2nc([N-]c3nc(-c4cccnc4)cs3)sc2c1 ZINC000004061296 564160297 /nfs/dbraw/zinc/16/02/97/564160297.db2.gz KXXFGXPDJVYTBM-UHFFFAOYSA-N -1 0 328.397 4.698 50 0 EJAARM CC(C)(C)c1ccc(OCCSc2ccccc2C(=O)[O-])cc1 ZINC000004520469 210212852 /nfs/dbraw/zinc/21/28/52/210212852.db2.gz XNVXVPUKYJNEFA-UHFFFAOYSA-N -1 0 330.449 4.853 50 0 EJAARM COc1cccc2sc([N-]c3nc4ccc(F)cc4s3)nc21 ZINC000004137626 210129957 /nfs/dbraw/zinc/12/99/57/210129957.db2.gz KQPOZYDSHQILAY-UHFFFAOYSA-N -1 0 331.397 4.797 50 0 EJAARM Fc1ccc2nc([N-]c3nc(-c4ccncc4)cs3)sc2c1 ZINC000004061298 210110467 /nfs/dbraw/zinc/11/04/67/210110467.db2.gz BMYJGIRPBPVPJW-UHFFFAOYSA-N -1 0 328.397 4.698 50 0 EJAARM O=C([O-])COc1ccccc1[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@H]21 ZINC000004028226 210102653 /nfs/dbraw/zinc/10/26/53/210102653.db2.gz IUZPOFVYQIAPHI-VXIWKAIFSA-N -1 0 342.435 4.507 50 0 biogenic EJAARM CCCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000102709227 219223089 /nfs/dbraw/zinc/22/30/89/219223089.db2.gz MQCJDNRPKSZHTL-UHFFFAOYSA-N -1 0 343.430 4.645 50 0 EJAARM COc1ccc(/C(=C\C(=O)[O-])c2cc3cc(Cl)ccc3o2)cc1 ZINC000040566686 213352068 /nfs/dbraw/zinc/35/20/68/213352068.db2.gz ZWSLTVKCHIZWRU-XNTDXEJSSA-N -1 0 328.751 4.611 50 0 EJAARM Cc1ccccc1C(=O)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000000552434 209661377 /nfs/dbraw/zinc/66/13/77/209661377.db2.gz QVQTVQPQCKMPEM-UHFFFAOYSA-N -1 0 337.400 4.674 50 0 EJAARM C[C@H](Oc1ccccc1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000000409727 209572456 /nfs/dbraw/zinc/57/24/56/209572456.db2.gz NUCPTBPYDMFSQW-INIZCTEOSA-N -1 0 332.399 4.984 50 0 EJAARM O=C([O-])C/C(=C/c1cc(F)ccc1F)c1nc2ccccc2s1 ZINC000040139603 202425109 /nfs/dbraw/zinc/42/51/09/202425109.db2.gz HXQBNXSJYBDDHC-XFFZJAGNSA-N -1 0 331.343 4.590 50 0 EJAARM O=C([O-])CCC/C(=C\c1cccc(O)c1)c1nc2ccccc2s1 ZINC000007336312 201056374 /nfs/dbraw/zinc/05/63/74/201056374.db2.gz WBPUBROMCHFIKB-SDNWHVSQSA-N -1 0 339.416 4.797 50 0 EJAARM CC[C@H](C)c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000025206328 212465697 /nfs/dbraw/zinc/46/56/97/212465697.db2.gz UIRARYZNPMYLGD-UGSOOPFHSA-N -1 0 343.398 4.536 50 0 EJAARM O=C([O-])c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000020334905 212120516 /nfs/dbraw/zinc/12/05/16/212120516.db2.gz AVYYJCSJWZTITG-UHFFFAOYSA-N -1 0 349.839 4.621 50 0 EJAARM CC1(C)Cc2nc([N-]c3nc4c(cccc4F)s3)sc2C(=O)C1 ZINC000004137664 205690469 /nfs/dbraw/zinc/69/04/69/205690469.db2.gz MSUSBAQXAHMEON-UHFFFAOYSA-N -1 0 347.440 4.791 50 0 EJAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@H]23)cc1 ZINC000104289707 206488149 /nfs/dbraw/zinc/48/81/49/206488149.db2.gz MITVFTQPBNIBOQ-FHLIZLRMSA-N -1 0 343.810 4.673 50 0 EJAARM CC[C@@H](C)c1ccc(N[C@@H](c2ccsc2)[P@@](=O)([O-])O)cc1 ZINC000012526548 211399070 /nfs/dbraw/zinc/39/90/70/211399070.db2.gz GFRMMYOFIZTLHS-IAQYHMDHSA-N -1 0 325.370 4.550 50 0 EJAARM CCCOc1ccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000096792009 218890811 /nfs/dbraw/zinc/89/08/11/218890811.db2.gz SMTLQXNYQHAIRQ-YFHOEESVSA-N -1 0 333.387 4.892 50 0 EJAARM Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cccc1C(=O)[O-] ZINC000005059895 210378133 /nfs/dbraw/zinc/37/81/33/210378133.db2.gz NKVXBOSFFSYROB-UHFFFAOYSA-N -1 0 331.371 4.613 50 0 EJAARM O=C([O-])[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1c1ccccc1 ZINC000004800602 210280377 /nfs/dbraw/zinc/28/03/77/210280377.db2.gz GZFUVVNXJDDLBT-OVESXRPUSA-N -1 0 326.395 4.762 50 0 EJAARM CC[C@H](OC(=O)c1ccccc1C(=O)[O-])[C@@H](CC)c1ccccc1 ZINC000004795085 210279986 /nfs/dbraw/zinc/27/99/86/210279986.db2.gz NUKCMNUIKWFODJ-YJBOKZPZSA-N -1 0 326.392 4.514 50 0 EJAARM O=C([O-])c1cccc(Nc2ncnc3scc(-c4ccccc4)c32)c1 ZINC000000098572 563225361 /nfs/dbraw/zinc/22/53/61/563225361.db2.gz RSVXIAMPUXUVBC-UHFFFAOYSA-N -1 0 347.399 4.800 50 0 EJAARM O=C([O-])CS[C@@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000346597 563287722 /nfs/dbraw/zinc/28/77/22/563287722.db2.gz KJHPPRXFYCSKDF-OAHLLOKOSA-N -1 0 336.865 4.906 50 0 EJAARM CCc1cc2c(cc1[O-])occ(-c1nc(-c3ccccc3)cs1)c2=O ZINC000000407919 563307372 /nfs/dbraw/zinc/30/73/72/563307372.db2.gz ZVHYUCKJXBXZFO-UHFFFAOYSA-N -1 0 349.411 4.852 50 0 EJAARM Cc1cc(OCCCn2cc(C(=O)[O-])c3ccccc32)ccc1Cl ZINC000006721559 563582675 /nfs/dbraw/zinc/58/26/75/563582675.db2.gz OTVLNVHWFRNVHU-UHFFFAOYSA-N -1 0 343.810 4.770 50 0 EJAARM O=C([O-])c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000007604025 563607644 /nfs/dbraw/zinc/60/76/44/563607644.db2.gz SBWWUUJBJQZCPG-UHFFFAOYSA-N -1 0 331.582 4.924 50 0 EJAARM Cc1cc(Br)cc2c(C(=O)[O-])cc(-c3ccccc3)nc12 ZINC000008549128 563632335 /nfs/dbraw/zinc/63/23/35/563632335.db2.gz GNZJSUBMTVWHNN-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM Cc1ccc(Oc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)cc1 ZINC000011946788 563652298 /nfs/dbraw/zinc/65/22/98/563652298.db2.gz JTICMYPRUGXFCM-UHFFFAOYSA-N -1 0 325.389 4.538 50 0 EJAARM O=C([O-])c1cccc2cccc([S@@](=O)c3cccc4ccccc43)c21 ZINC000012367587 563658767 /nfs/dbraw/zinc/65/87/67/563658767.db2.gz PESLEHVRMIGFDK-RUZDIDTESA-N -1 0 346.407 4.858 50 0 EJAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1cccc(Cl)c1 ZINC000005731018 563863736 /nfs/dbraw/zinc/86/37/36/563863736.db2.gz YRPMNTWDXNDUKR-UHFFFAOYSA-N -1 0 340.684 4.838 50 0 biogenic EJAARM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)c1c(F)cccc1Cl ZINC000005344193 564002730 /nfs/dbraw/zinc/00/27/30/564002730.db2.gz CVNAUENCSVSXRV-NSHDSACASA-N -1 0 341.165 4.574 50 0 EJAARM COc1cc2c(C(=O)[O-])c(C)n(-c3ccccc3)c2c2ccccc12 ZINC000000503493 564019189 /nfs/dbraw/zinc/01/91/89/564019189.db2.gz PKTLXGAGORPEHN-UHFFFAOYSA-N -1 0 331.371 4.799 50 0 EJAARM C[C@@H](Cn1c(=O)c2oc3ccccc3c2[n-]c1=S)c1ccccc1 ZINC000101271816 564019361 /nfs/dbraw/zinc/01/93/61/564019361.db2.gz QFTDYVUSJZMLEW-LBPRGKRZSA-N -1 0 336.416 4.609 50 0 EJAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1Cc1ccccc1Cl ZINC000101271436 564019366 /nfs/dbraw/zinc/01/93/66/564019366.db2.gz SBXTZUGGSRFSDZ-UHFFFAOYSA-N -1 0 342.807 4.507 50 0 EJAARM Cc1cc(C)c([C@@H](Nc2ccc(Cl)cc2)[P@@](=O)([O-])O)cc1C ZINC000024769635 564033675 /nfs/dbraw/zinc/03/36/75/564033675.db2.gz BIZMEMWBCJVYPL-INIZCTEOSA-N -1 0 339.759 4.554 50 0 EJAARM O=c1c(-c2cccc(Cl)c2)c[n-]n1-c1cccc(C(F)(F)F)c1 ZINC000001400713 564064957 /nfs/dbraw/zinc/06/49/57/564064957.db2.gz PBEMXBIJVNPFDL-UHFFFAOYSA-N -1 0 338.716 4.505 50 0 EJAARM C[C@H](Cc1ccc(OCCCc2ccccc2)c(Cl)c1)C(=O)[O-] ZINC000043191090 564076181 /nfs/dbraw/zinc/07/61/81/564076181.db2.gz AHHBRWBRRYTQRU-CQSZACIVSA-N -1 0 332.827 4.615 50 0 EJAARM O=C([O-])c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 ZINC000001393656 564086258 /nfs/dbraw/zinc/08/62/58/564086258.db2.gz DHQIBPUGSWVDOH-UHFFFAOYSA-N -1 0 334.371 4.543 50 0 EJAARM O=C([O-])c1cc(-c2ccc(-c3cccc(F)c3)o2)nc2ccccc21 ZINC000001789977 564087661 /nfs/dbraw/zinc/08/76/61/564087661.db2.gz LYXBIMUTNKRDJT-UHFFFAOYSA-N -1 0 333.318 4.999 50 0 EJAARM CCc1ccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccccc3)n2)cc1 ZINC000006749014 564097066 /nfs/dbraw/zinc/09/70/66/564097066.db2.gz IVHSAJWZIGWLRX-UHFFFAOYSA-N -1 0 343.386 4.553 50 0 EJAARM COc1cccc(-c2nc3ccccc3c(Oc3ccccc3)n2)c1[O-] ZINC000002238485 564125242 /nfs/dbraw/zinc/12/52/42/564125242.db2.gz BIIQSTIETGXTSV-UHFFFAOYSA-N -1 0 344.370 4.803 50 0 EJAARM [O-]c1ccccc1-c1nc2ccccc2c(NCc2ccccc2)n1 ZINC000095545593 564141741 /nfs/dbraw/zinc/14/17/41/564141741.db2.gz CYYDOMYWIALWEL-UHFFFAOYSA-N -1 0 327.387 4.615 50 0 EJAARM O=C(Nc1ccccc1)[C@@H]([N-]c1nc2ccccc2o1)c1ccccc1 ZINC000054389250 214235755 /nfs/dbraw/zinc/23/57/55/214235755.db2.gz OUBSQMSEZQNEAP-IBGZPJMESA-N -1 0 343.386 4.620 50 0 EJAARM Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(/C=C\C(=O)[O-])c1 ZINC000004557941 210220542 /nfs/dbraw/zinc/22/05/42/210220542.db2.gz JQMVUAYFYRCGHV-KHPPLWFESA-N -1 0 347.370 4.605 50 0 EJAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(F)cc1 ZINC000003885057 210083032 /nfs/dbraw/zinc/08/30/32/210083032.db2.gz DFJBOLNIHJRSHP-WYMLVPIESA-N -1 0 333.362 4.949 50 0 EJAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1ccc(F)cc1 ZINC000033888678 202269953 /nfs/dbraw/zinc/26/99/53/202269953.db2.gz DFJBOLNIHJRSHP-OWBHPGMISA-N -1 0 333.362 4.949 50 0 EJAARM CC(C)COC(=O)N=c1[n-]nc(-c2ccc(Cl)cc2Cl)s1 ZINC000000322739 209537436 /nfs/dbraw/zinc/53/74/36/209537436.db2.gz SHNBYCDUISPPGY-UHFFFAOYSA-N -1 0 346.239 4.716 50 0 EJAARM Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)[O-] ZINC000000218826 209491817 /nfs/dbraw/zinc/49/18/17/209491817.db2.gz DLRRYGJBGBBQBK-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM O=C([O-])c1ccc(CSc2nc(-c3ccc(F)cc3)cs2)o1 ZINC000026421262 212520038 /nfs/dbraw/zinc/52/00/38/212520038.db2.gz ZTFAHJCTEYBGRG-UHFFFAOYSA-N -1 0 335.381 4.533 50 0 EJAARM CC(C)(C)c1ccc(OCCn2cc(C(=O)[O-])c3ccccc32)cc1 ZINC000021364717 212223686 /nfs/dbraw/zinc/22/36/86/212223686.db2.gz PDATYWTXTOLLRR-UHFFFAOYSA-N -1 0 337.419 4.716 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccccc2)n1 ZINC000005685247 201660097 /nfs/dbraw/zinc/66/00/97/201660097.db2.gz CGAOXSZEALULKE-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM O=C([O-])CC/C(=C/c1csc(C2CC2)n1)c1nc2ccccc2o1 ZINC000071824523 203119634 /nfs/dbraw/zinc/11/96/34/203119634.db2.gz CFNCRJHFACKQAJ-XFXZXTDPSA-N -1 0 340.404 4.567 50 0 EJAARM Cc1cc2oc(-c3ccccc3)c/c(=N\[C@H](C(=O)[O-])C(C)C)c2cc1C ZINC000019794077 212068779 /nfs/dbraw/zinc/06/87/79/212068779.db2.gz OCLWLBCRVVJIEH-XJQMLFBMSA-N -1 0 349.430 4.727 50 0 EJAARM Cc1ccc2oc(-c3ccccc3)c/c(=N\CCCCCC(=O)[O-])c2c1 ZINC000019793146 212067617 /nfs/dbraw/zinc/06/76/17/212067617.db2.gz AMFOLHGCUOUSNU-FCDQGJHFSA-N -1 0 349.430 4.954 50 0 EJAARM O=C([O-])/C=C/c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000226322436 205128466 /nfs/dbraw/zinc/12/84/66/205128466.db2.gz CXZHKZAYHPYAOZ-NTEUORMPSA-N -1 0 343.382 4.704 50 0 EJAARM Cc1cc(-c2csc(Nc3ccc(C(=O)[O-])cc3)n2)ccc1F ZINC000000070729 205399100 /nfs/dbraw/zinc/39/91/00/205399100.db2.gz DCOCVFXWBASWAD-UHFFFAOYSA-N -1 0 328.368 4.699 50 0 EJAARM CC[C@@H](C)c1ccc(N[C@H](c2ccsc2)[P@@](=O)([O-])O)cc1 ZINC000012526550 211398749 /nfs/dbraw/zinc/39/87/49/211398749.db2.gz GFRMMYOFIZTLHS-ABAIWWIYSA-N -1 0 325.370 4.550 50 0 EJAARM Cc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)sc1C(=O)[O-] ZINC000011861324 211258641 /nfs/dbraw/zinc/25/86/41/211258641.db2.gz IPPIALGRNGQBTH-UHFFFAOYSA-N -1 0 329.352 4.748 50 0 EJAARM CC(C)(C)SCC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000095448226 218391913 /nfs/dbraw/zinc/39/19/13/218391913.db2.gz WIKPDMCUJXUJSP-UHFFFAOYSA-N -1 0 342.675 4.823 50 0 EJAARM CCc1cc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2cc1[O-] ZINC000006519562 210646017 /nfs/dbraw/zinc/64/60/17/210646017.db2.gz CPRNHRFNUCHSII-UHFFFAOYSA-N -1 0 334.293 4.747 50 0 EJAARM O=C([O-])c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 ZINC000004990842 210353035 /nfs/dbraw/zinc/35/30/35/210353035.db2.gz WAPVWRKIDOIEAY-UHFFFAOYSA-N -1 0 345.398 4.546 50 0 EJAARM CCOc1ccccc1-c1nc(-c2ccccc2)c(CC(=O)[O-])s1 ZINC000241466154 535481757 /nfs/dbraw/zinc/48/17/57/535481757.db2.gz NVEDYGIGLCGLBE-UHFFFAOYSA-N -1 0 339.416 4.503 50 0 EJAARM Cc1[n-]n(-c2ccccc2)c(=O)c1Cc1c(Cl)cccc1Cl ZINC000000088724 563221543 /nfs/dbraw/zinc/22/15/43/563221543.db2.gz FORCNTSOYUUEBC-UHFFFAOYSA-N -1 0 333.218 4.784 50 0 EJAARM O=C([O-])c1ccc(Nc2nc(-c3ccccc3)nc3ccccc32)cc1 ZINC000000112214 563230518 /nfs/dbraw/zinc/23/05/18/563230518.db2.gz URQSXBUBPRZCPZ-UHFFFAOYSA-N -1 0 341.370 4.739 50 0 EJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)cc1 ZINC000000153367 563246712 /nfs/dbraw/zinc/24/67/12/563246712.db2.gz ISPPZKXCELSYHG-UHFFFAOYSA-N -1 0 339.416 4.588 50 0 EJAARM O=C([O-])Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1 ZINC000000169463 563250584 /nfs/dbraw/zinc/25/05/84/563250584.db2.gz GJKWJSNKAHQBMK-UHFFFAOYSA-N -1 0 329.808 4.758 50 0 EJAARM O=C([O-])/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000000169771 563250587 /nfs/dbraw/zinc/25/05/87/563250587.db2.gz GHIXOMKXVXTZOO-RCCKNPSSSA-N -1 0 330.383 4.891 50 0 EJAARM O=C([O-])c1cccc2cccc([S@](=O)c3cccc4ccccc43)c21 ZINC000000173140 563252334 /nfs/dbraw/zinc/25/23/34/563252334.db2.gz PESLEHVRMIGFDK-VWLOTQADSA-N -1 0 346.407 4.858 50 0 EJAARM O=C([N-]C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(F)(F)F ZINC000000438229 563313302 /nfs/dbraw/zinc/31/33/02/563313302.db2.gz SMUDWMSMOGGQDM-UHFFFAOYSA-N -1 0 348.151 4.761 50 0 EJAARM CCCCOc1ccc(C(C)(C)CC(C)(C)C)cc1S(=O)(=O)[O-] ZINC000004831700 563512226 /nfs/dbraw/zinc/51/22/26/563512226.db2.gz AJMADNHMYFGIBK-UHFFFAOYSA-N -1 0 342.501 4.826 50 0 EJAARM Cc1ccccc1-c1c(=O)c2ccc([O-])c(C)c2oc1C(F)(F)F ZINC000005730810 563547597 /nfs/dbraw/zinc/54/75/97/563547597.db2.gz QFAARRNOSOYPBS-UHFFFAOYSA-N -1 0 334.293 4.801 50 0 biogenic EJAARM Cc1sc2[n-]c(=S)n([C@H]3C[C@@H]3Cc3ccccc3)c(=O)c2c1C ZINC000017071598 563834619 /nfs/dbraw/zinc/83/46/19/563834619.db2.gz NSQDUKTXVNCURY-KBPBESRZSA-N -1 0 342.489 4.541 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 ZINC000025762119 563888021 /nfs/dbraw/zinc/88/80/21/563888021.db2.gz QXNLJISYJIIVBW-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM Cc1ccc(C)c(-c2csc(Nc3ccc(C(=O)[O-])c(O)c3)n2)c1 ZINC000000070714 563974152 /nfs/dbraw/zinc/97/41/52/563974152.db2.gz XWNBZXZSRUCGNT-UHFFFAOYSA-N -1 0 340.404 4.574 50 0 EJAARM Cc1cc(C(=O)[O-])c(NC(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000000314025 563990994 /nfs/dbraw/zinc/99/09/94/563990994.db2.gz AENNJGKKSJTFSB-UHFFFAOYSA-N -1 0 337.400 4.674 50 0 EJAARM COC(=O)c1cc(C(=O)[O-])cc(-c2ccccc2)c1-c1ccccc1 ZINC000019909826 564030805 /nfs/dbraw/zinc/03/08/05/564030805.db2.gz CLXKPFYLIXARIY-UHFFFAOYSA-N -1 0 332.355 4.505 50 0 EJAARM Cc1ccc([C@H](Nc2ccc(C(C)(C)C)cc2)[P@@](=O)([O-])O)cc1 ZINC000024769697 564033678 /nfs/dbraw/zinc/03/36/78/564033678.db2.gz FSSYHJFBZGETBD-QGZVFWFLSA-N -1 0 333.368 4.581 50 0 EJAARM Cc1cc(C)c([C@H](Nc2ccc(Cl)cc2)[P@@](=O)([O-])O)cc1C ZINC000024769652 564033696 /nfs/dbraw/zinc/03/36/96/564033696.db2.gz BIZMEMWBCJVYPL-MRXNPFEDSA-N -1 0 339.759 4.554 50 0 EJAARM Cc1ccc(-c2[nH]nc3nc(-c4ccc(C)cc4)cc(C(=O)[O-])c32)cc1 ZINC000006748947 564097036 /nfs/dbraw/zinc/09/70/36/564097036.db2.gz AFEFUQLFZKGIPE-UHFFFAOYSA-N -1 0 343.386 4.607 50 0 EJAARM CC(C)c1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc1 ZINC000057354805 564153662 /nfs/dbraw/zinc/15/36/62/564153662.db2.gz CAKLTUNCIYVZLR-UHFFFAOYSA-N -1 0 349.365 4.508 50 0 EJAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C/c1cccc(O)c1 ZINC000057435463 564154268 /nfs/dbraw/zinc/15/42/68/564154268.db2.gz RBPJEELVFJKSNT-KAMYIIQDSA-N -1 0 331.371 4.516 50 0 EJAARM CCc1cc2c(=O)c(Oc3c(F)cccc3Cl)c(C)oc2cc1[O-] ZINC000006519563 568414795 /nfs/dbraw/zinc/41/47/95/568414795.db2.gz TVEXGFOGSZBOKS-UHFFFAOYSA-N -1 0 348.757 4.954 50 0 EJAARM COc1ccc(/C=C\c2nc3ccccc3c(C(=O)[O-])c2C)cc1F ZINC000098042496 219073791 /nfs/dbraw/zinc/07/37/91/219073791.db2.gz MSIURYCJXWKLQV-CLFYSBASSA-N -1 0 337.350 4.560 50 0 EJAARM O=C([O-])c1ccccc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000004542525 210217824 /nfs/dbraw/zinc/21/78/24/210217824.db2.gz LUXHKELAQNBSLA-UHFFFAOYSA-N -1 0 344.581 4.597 50 0 EJAARM COc1ccc2nc([N-]c3nc4c(cccc4F)s3)sc2c1 ZINC000004137660 210129989 /nfs/dbraw/zinc/12/99/89/210129989.db2.gz DILHEQBHDUMQRW-UHFFFAOYSA-N -1 0 331.397 4.797 50 0 EJAARM CCCCCOc1ccc(/C=C(/C(=O)[O-])c2ccccc2)cc1OC ZINC000004136942 210128937 /nfs/dbraw/zinc/12/89/37/210128937.db2.gz ZMGMTCOCLHXFAP-NBVRZTHBSA-N -1 0 340.419 4.889 50 0 EJAARM COc1ccc2nc([N-]c3nc(-c4cccnc4)cs3)sc2c1 ZINC000004061289 210110176 /nfs/dbraw/zinc/11/01/76/210110176.db2.gz JOFFNKOWAGLXIG-UHFFFAOYSA-N -1 0 340.433 4.567 50 0 EJAARM O=C([O-])CCCc1cn(Cc2ccc(Cl)cc2)c2ccccc12 ZINC000004053882 210109349 /nfs/dbraw/zinc/10/93/49/210109349.db2.gz DNGAYDOSZBIXIR-UHFFFAOYSA-N -1 0 327.811 4.750 50 0 EJAARM O=C([O-])[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000038846715 213227926 /nfs/dbraw/zinc/22/79/26/213227926.db2.gz DDTQLPXXNHLBAB-CYBMUJFWSA-N -1 0 330.689 4.564 50 0 in-vitro EJAARM CC(C)(C)c1ccc(SCc2nc(=O)c3sccc3[n-]2)cc1 ZINC000032724108 202231233 /nfs/dbraw/zinc/23/12/33/202231233.db2.gz BCGCCASKNYHERF-UHFFFAOYSA-N -1 0 330.478 4.574 50 0 EJAARM Cc1cc(Cl)ccc1O[C@H](C)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000035655147 202307837 /nfs/dbraw/zinc/30/78/37/202307837.db2.gz DSRUKUHRZKXSPF-SNVBAGLBSA-N -1 0 340.206 4.837 50 0 EJAARM CCCC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccc(C)cc1 ZINC000000259935 209506436 /nfs/dbraw/zinc/50/64/36/209506436.db2.gz UKPCWHLPERFARK-UHFFFAOYSA-N -1 0 329.421 4.583 50 0 EJAARM [O-]c1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 ZINC000215850500 241150252 /nfs/dbraw/zinc/15/02/52/241150252.db2.gz IWNZOCUGVICDAW-UHFFFAOYSA-N -1 0 349.615 4.661 50 0 EJAARM O=C([O-])c1cc(Cl)ccc1Oc1ccc(Br)cc1 ZINC000109994414 220008001 /nfs/dbraw/zinc/00/80/01/220008001.db2.gz LBMPVUUQBQVVTO-UHFFFAOYSA-N -1 0 327.561 4.593 50 0 EJAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3OCCC[C@@H]23)cc1 ZINC000016625997 211921635 /nfs/dbraw/zinc/92/16/35/211921635.db2.gz MITVFTQPBNIBOQ-JCGIZDLHSA-N -1 0 343.810 4.673 50 0 EJAARM CC(C)c1ccc(O[C@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000011962104 211276037 /nfs/dbraw/zinc/27/60/37/211276037.db2.gz IGSBLCRDMUDWBG-INIZCTEOSA-N -1 0 349.224 4.777 50 0 EJAARM O=C([O-])CS/C(=C\c1ccsc1)c1nc2ccccc2s1 ZINC000007911887 210863507 /nfs/dbraw/zinc/86/35/07/210863507.db2.gz DRNYKKDRROGIFG-QPEQYQDCSA-N -1 0 333.459 4.674 50 0 EJAARM O=C([O-])c1sc(/C=C/c2ccc(F)c(F)c2)nc1-c1ccccc1 ZINC000007333015 210784739 /nfs/dbraw/zinc/78/47/39/210784739.db2.gz JVUHEIMUGURDQT-VQHVLOKHSA-N -1 0 343.354 4.957 50 0 EJAARM CCc1oc2c(C)c([O-])ccc2c(=O)c1-c1ccc2ccccc2n1 ZINC000006366409 210624254 /nfs/dbraw/zinc/62/42/54/210624254.db2.gz OWAJLWOUTXHOMQ-UHFFFAOYSA-N -1 0 331.371 4.585 50 0 EJAARM O=C([O-])c1ccccc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000000054641 563213749 /nfs/dbraw/zinc/21/37/49/563213749.db2.gz GENNKIPKBYUMBY-UHFFFAOYSA-N -1 0 344.581 4.597 50 0 EJAARM CC(C)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000168380 563249924 /nfs/dbraw/zinc/24/99/24/563249924.db2.gz YTBPFVPLGMENGR-UHFFFAOYSA-N -1 0 344.263 4.918 50 0 EJAARM Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000000268007 563269324 /nfs/dbraw/zinc/26/93/24/563269324.db2.gz PBTZYSLIGDMBKI-UHFFFAOYSA-N -1 0 331.371 4.613 50 0 EJAARM O=C([O-])CCCC(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 ZINC000000277189 563271094 /nfs/dbraw/zinc/27/10/94/563271094.db2.gz HQYINEGFGGMAIU-UHFFFAOYSA-N -1 0 349.386 4.826 50 0 EJAARM O=C([O-])CS[C@H]1Cc2cc(Cl)ccc2Sc2ccccc21 ZINC000000346596 563287758 /nfs/dbraw/zinc/28/77/58/563287758.db2.gz KJHPPRXFYCSKDF-HNNXBMFYSA-N -1 0 336.865 4.906 50 0 EJAARM Cc1ccc(SCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000000367834 563296852 /nfs/dbraw/zinc/29/68/52/563296852.db2.gz ZQFKDKJZSYZCTD-UHFFFAOYSA-N -1 0 342.247 4.738 50 0 EJAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2ccc(Cl)c(C)c2n1 ZINC000002526037 563439065 /nfs/dbraw/zinc/43/90/65/563439065.db2.gz WZOBSUJEQIYUTH-UHFFFAOYSA-N -1 0 341.794 4.961 50 0 EJAARM COc1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1 ZINC000003885013 563490113 /nfs/dbraw/zinc/49/01/13/563490113.db2.gz AMSBESPIMWAFGZ-FYWRMAATSA-N -1 0 345.398 4.819 50 0 EJAARM C[C@H](Oc1ccc(Oc2ccc3cccc(Cl)c3n2)cc1)C(=O)[O-] ZINC000004638559 563506219 /nfs/dbraw/zinc/50/62/19/563506219.db2.gz ZHLLMFXGKOJGLR-NSHDSACASA-N -1 0 343.766 4.532 50 0 EJAARM COc1ccc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1Cl ZINC000004841547 563512982 /nfs/dbraw/zinc/51/29/82/563512982.db2.gz KGZKICQBQSKTKR-UHFFFAOYSA-N -1 0 346.597 4.613 50 0 EJAARM O=C([O-])c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000005162228 563521662 /nfs/dbraw/zinc/52/16/62/563521662.db2.gz QBYPVSPDWKEXRG-UHFFFAOYSA-N -1 0 332.281 4.695 50 0 EJAARM CCCCCc1cc2c(cc1[O-])occ(-c1nc(C)cs1)c2=O ZINC000005826128 563551840 /nfs/dbraw/zinc/55/18/40/563551840.db2.gz CWZXOOMHRFLNOE-UHFFFAOYSA-N -1 0 329.421 4.663 50 0 biogenic EJAARM CCO[P@](=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005861674 563552457 /nfs/dbraw/zinc/55/24/57/563552457.db2.gz WBSRIXCTCFFHEF-UHFFFAOYSA-N -1 0 328.389 4.709 50 0 EJAARM CC(C)(C)c1ccc(-c2nc3cc(C(=O)[O-])ccc3n3ccnc23)cc1 ZINC000014066505 563737304 /nfs/dbraw/zinc/73/73/04/563737304.db2.gz VZQFSMUTYXZFCA-UHFFFAOYSA-N -1 0 345.402 4.545 50 0 EJAARM Cc1cc(-c2ccc(SCC(=O)[O-])c(F)c2)nc2ccccc12 ZINC000024513143 563872214 /nfs/dbraw/zinc/87/22/14/563872214.db2.gz DHNZAVMWAZSAEI-UHFFFAOYSA-N -1 0 327.380 4.526 50 0 EJAARM O=C([O-])CSC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000044126730 563926228 /nfs/dbraw/zinc/92/62/28/563926228.db2.gz BTPWNYQJOJYQIO-UHFFFAOYSA-N -1 0 327.232 4.901 50 0 EJAARM CCO[P@](C)(=O)[C@H](C(=O)[O-])c1csc2ccc(Cl)cc21 ZINC000082048683 563971961 /nfs/dbraw/zinc/97/19/61/563971961.db2.gz XQUUWINBTHXKLR-BUXKBTBVSA-N -1 0 332.745 4.625 50 0 EJAARM Cc1cc(-c2csc(Nc3cccc(C(=O)[O-])c3)n2)ccc1F ZINC000000070725 563974136 /nfs/dbraw/zinc/97/41/36/563974136.db2.gz MCIGPJGVEGRNPU-UHFFFAOYSA-N -1 0 328.368 4.699 50 0 EJAARM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)c1c(F)cccc1Cl ZINC000005344192 564002706 /nfs/dbraw/zinc/00/27/06/564002706.db2.gz CVNAUENCSVSXRV-LLVKDONJSA-N -1 0 341.165 4.574 50 0 EJAARM Cc1ccc(Nc2nc(-c3ccc(C)cc3)c(CC(=O)[O-])s2)cc1 ZINC000000563419 564023310 /nfs/dbraw/zinc/02/33/10/564023310.db2.gz TZMBEPMPIPAJJT-UHFFFAOYSA-N -1 0 338.432 4.798 50 0 EJAARM Cc1ccc([C@@H](Nc2ccc(C(C)(C)C)cc2)[P@@](=O)([O-])O)cc1 ZINC000024769690 564033692 /nfs/dbraw/zinc/03/36/92/564033692.db2.gz FSSYHJFBZGETBD-KRWDZBQOSA-N -1 0 333.368 4.581 50 0 EJAARM CC(C)Oc1ccc(-c2cc(C(=O)[O-])c3cc(F)ccc3n2)cc1 ZINC000001459160 564072984 /nfs/dbraw/zinc/07/29/84/564072984.db2.gz CPUDQIWMPCACMI-UHFFFAOYSA-N -1 0 325.339 4.526 50 0 EJAARM O=C([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000016626002 564090780 /nfs/dbraw/zinc/09/07/80/564090780.db2.gz MITVFTQPBNIBOQ-QGTPRVQTSA-N -1 0 343.810 4.673 50 0 EJAARM O=C([O-])c1ccc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000006598376 564092632 /nfs/dbraw/zinc/09/26/32/564092632.db2.gz SKEWXRXWALEMEB-XCVCLJGOSA-N -1 0 325.364 4.818 50 0 EJAARM O=C([O-])CC/C(=C\c1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000007751660 564122661 /nfs/dbraw/zinc/12/26/61/564122661.db2.gz MJCDRFVRZDIQMK-FMIVXFBMSA-N -1 0 345.370 4.980 50 0 EJAARM O=C([O-])CCSc1nnc(-c2ccc(Cl)cc2)c2ccccc21 ZINC000019862005 564129054 /nfs/dbraw/zinc/12/90/54/564129054.db2.gz HTNUQBHRECOAOM-UHFFFAOYSA-N -1 0 344.823 4.517 50 0 EJAARM O=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000002337899 564132371 /nfs/dbraw/zinc/13/23/71/564132371.db2.gz NTZPLLUZAFVWMM-WUXMJOGZSA-N -1 0 340.187 4.577 50 0 EJAARM C[C@@H]1CCCC[C@H]1Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000002409186 564134625 /nfs/dbraw/zinc/13/46/25/564134625.db2.gz PSINKMOSZHXTLD-RHSMWYFYSA-N -1 0 333.435 4.993 50 0 EJAARM O=C([O-])CC/C(=C/c1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000057438761 564154304 /nfs/dbraw/zinc/15/43/04/564154304.db2.gz MJCDRFVRZDIQMK-XFXZXTDPSA-N -1 0 345.370 4.980 50 0 EJAARM COc1ccc2nc([N-]c3nc(-c4ccncc4)cs3)sc2c1 ZINC000004061291 564160293 /nfs/dbraw/zinc/16/02/93/564160293.db2.gz HNIYHGXKRCSFEA-UHFFFAOYSA-N -1 0 340.433 4.567 50 0 EJAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(F)cc3F)cs2)cc1 ZINC000004638908 210237297 /nfs/dbraw/zinc/23/72/97/210237297.db2.gz YLVAVAKKAHNAKE-UHFFFAOYSA-N -1 0 332.331 4.530 50 0 EJAARM O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1nc2ccccc2s1 ZINC000100103448 219091492 /nfs/dbraw/zinc/09/14/92/219091492.db2.gz ZKRMEWRABCSTSI-UHFFFAOYSA-N -1 0 327.796 4.508 50 0 EJAARM CSc1ccc2nc([N-]c3nnc(-c4cccs4)o3)sc2c1 ZINC000004359838 210180163 /nfs/dbraw/zinc/18/01/63/210180163.db2.gz CZKUIUDHUUNIFJ-UHFFFAOYSA-N -1 0 346.462 4.873 50 0 EJAARM O=C([O-])CCS[C@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000004321783 210169964 /nfs/dbraw/zinc/16/99/64/210169964.db2.gz UKQMJMJZZPAHRU-QGZVFWFLSA-N -1 0 348.851 4.862 50 0 EJAARM CC1(C)Cc2nc([N-]c3nc4ccc(F)cc4s3)sc2C(=O)C1 ZINC000004137768 210129625 /nfs/dbraw/zinc/12/96/25/210129625.db2.gz VILRIMUBNZPENU-UHFFFAOYSA-N -1 0 347.440 4.791 50 0 EJAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)[O-])occ3-c1ccccc1 ZINC000004041349 210105961 /nfs/dbraw/zinc/10/59/61/210105961.db2.gz WVDQTICJJSVLMO-UHFFFAOYSA-N -1 0 348.354 4.532 50 0 biogenic EJAARM CCc1c(C)nc2c(-c3ccccc3)c(Cc3ccccc3)[n-]n2c1=O ZINC000102598502 219213568 /nfs/dbraw/zinc/21/35/68/219213568.db2.gz MBRQXLIYFALIRM-UHFFFAOYSA-N -1 0 343.430 4.564 50 0 EJAARM O=C([O-])CCS[C@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000003126296 209967731 /nfs/dbraw/zinc/96/77/31/209967731.db2.gz MPMVCERSGGGPIQ-QGZVFWFLSA-N -1 0 348.851 4.862 50 0 EJAARM Cc1ccc(-c2csc3ncnc(SCCC(=O)[O-])c23)cc1C ZINC000036108767 213068289 /nfs/dbraw/zinc/06/82/89/213068289.db2.gz RBBJIXATEHHXDN-UHFFFAOYSA-N -1 0 344.461 4.542 50 0 EJAARM O=C([O-])c1cccc(Nc2nc(-c3ccc(F)cc3F)cs2)c1 ZINC000000271678 209512884 /nfs/dbraw/zinc/51/28/84/209512884.db2.gz GDLSIECCSXFBEI-UHFFFAOYSA-N -1 0 332.331 4.530 50 0 EJAARM Cc1ccc(C(=O)C[C@H](SCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000000044316 209387085 /nfs/dbraw/zinc/38/70/85/209387085.db2.gz LLBPSKRWWMYWGF-KRWDZBQOSA-N -1 0 348.851 4.608 50 0 EJAARM CCc1c(C)sc2[n-]c(=S)n(CCCc3ccccc3)c(=O)c12 ZINC000005928403 201667699 /nfs/dbraw/zinc/66/76/99/201667699.db2.gz QTJBTKMKVPYIOE-UHFFFAOYSA-N -1 0 344.505 4.624 50 0 EJAARM Cc1ccc(-c2[nH]nc3nc(-c4ccccc4C)cc(C(=O)[O-])c32)cc1 ZINC000020492091 212139434 /nfs/dbraw/zinc/13/94/34/212139434.db2.gz KZGZYQPKDZFXCE-UHFFFAOYSA-N -1 0 343.386 4.607 50 0 EJAARM O=C([O-])c1cccc(COc2ccc(/C=C/c3ccncc3)cc2)c1 ZINC000019773031 212064795 /nfs/dbraw/zinc/06/47/95/212064795.db2.gz WKUHWWYBUWXCOQ-SNAWJCMRSA-N -1 0 331.371 4.529 50 0 EJAARM CCO[P@](C)(=O)[C@@H](C(=O)[O-])c1csc2ccc(Cl)cc21 ZINC000082048686 217459928 /nfs/dbraw/zinc/45/99/28/217459928.db2.gz XQUUWINBTHXKLR-BLVKFPJESA-N -1 0 332.745 4.625 50 0 EJAARM CCN(CC)c1ccc(-c2n[n-]c(=S)n2-c2ccccc2C)cc1 ZINC000013636405 211596068 /nfs/dbraw/zinc/59/60/68/211596068.db2.gz XAJRGLUHUADUFU-UHFFFAOYSA-N -1 0 338.480 4.752 50 0 EJAARM O=C([O-])c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000013084752 211519963 /nfs/dbraw/zinc/51/99/63/211519963.db2.gz HBQHTQZDRKBATR-UHFFFAOYSA-N -1 0 331.582 4.924 50 0 EJAARM CCOc1cc(/C=C/c2cc(C(=O)[O-])c3ccccc3n2)ccc1OC ZINC000005787748 210537670 /nfs/dbraw/zinc/53/76/70/210537670.db2.gz BMEPDHGCBONRNC-CSKARUKUSA-N -1 0 349.386 4.511 50 0 EJAARM O=c1c2c(O)cc([O-])cc2oc(-c2ccccc2)c1-c1ccccc1 ZINC000000084913 563219708 /nfs/dbraw/zinc/21/97/08/563219708.db2.gz CACAEUOJNKVOJD-UHFFFAOYSA-N -1 0 330.339 4.538 50 0 EJAARM O=C([O-])c1cccc(Nc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000000112211 563230442 /nfs/dbraw/zinc/23/04/42/563230442.db2.gz SZSCCJBAFZWMEW-UHFFFAOYSA-N -1 0 341.370 4.739 50 0 biogenic EJAARM Cc1cccc(NC(=O)c2ccc(-c3ccccc3)s2)c1C(=O)[O-] ZINC000000152159 563246426 /nfs/dbraw/zinc/24/64/26/563246426.db2.gz JEDVXRNPNXRCSA-UHFFFAOYSA-N -1 0 337.400 4.674 50 0 EJAARM CCOc1c(Cl)cc(Cl)cc1CNc1ccc(C(=O)[O-])cc1 ZINC000000360219 563293297 /nfs/dbraw/zinc/29/32/97/563293297.db2.gz KMXAVKQOIQKOOH-UHFFFAOYSA-N -1 0 340.206 4.702 50 0 EJAARM C[C@@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])c1ccccc1 ZINC000001230333 563380648 /nfs/dbraw/zinc/38/06/48/563380648.db2.gz DVEKMWVXQDMHNZ-OAHLLOKOSA-N -1 0 345.398 4.543 50 0 EJAARM CC(C)c1ccc([C@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000001397646 563386765 /nfs/dbraw/zinc/38/67/65/563386765.db2.gz RFBJKGPGFZFFEW-KRWDZBQOSA-N -1 0 330.811 4.905 50 0 EJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)cc1 ZINC000002526032 563439053 /nfs/dbraw/zinc/43/90/53/563439053.db2.gz BCXSKZHAGHBZEB-UHFFFAOYSA-N -1 0 327.767 4.652 50 0 EJAARM O=c1c2c(-c3ccccc3)csc2[n-]c(=S)n1C1CCCC1 ZINC000002635298 563444868 /nfs/dbraw/zinc/44/48/68/563444868.db2.gz FZCKKUMGSCJGLV-UHFFFAOYSA-N -1 0 328.462 4.903 50 0 EJAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccc(Br)cc3)nc12 ZINC000002765160 563449777 /nfs/dbraw/zinc/44/97/77/563449777.db2.gz AXOVQGHAUJNNRK-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM CCCCN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000002812842 563451909 /nfs/dbraw/zinc/45/19/09/563451909.db2.gz VRDHBRVIYKLQMB-XFFZJAGNSA-N -1 0 346.235 4.535 50 0 EJAARM CC(C)(C)c1ccc(C([O-])=CC(=O)c2cc(Cl)ccc2O)cc1 ZINC000004637991 563506137 /nfs/dbraw/zinc/50/61/37/563506137.db2.gz BGEULKLIKKJDIZ-UHFFFAOYSA-N -1 0 330.811 4.799 50 0 aggregator EJAARM O=c1c(-c2ccc(Cl)c(Cl)c2)c[n-]n1-c1cccc(Cl)c1 ZINC000005671218 563544825 /nfs/dbraw/zinc/54/48/25/563544825.db2.gz WYHIFSRNAGVDFA-UHFFFAOYSA-N -1 0 339.609 4.793 50 0 EJAARM Cc1ccc2nc(-c3ccccc3Br)cc(C(=O)[O-])c2c1 ZINC000002738107 563607936 /nfs/dbraw/zinc/60/79/36/563607936.db2.gz JLFVPVNRJQBACU-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM Cc1[n-]n2c(nc(C)c(CCC(C)C)c2=O)c1-c1ccc(Cl)cc1 ZINC000018222729 563851242 /nfs/dbraw/zinc/85/12/42/563851242.db2.gz XRIBMQAYUDNIRV-UHFFFAOYSA-N -1 0 343.858 4.548 50 0 EJAARM Cc1ccc(Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1 ZINC000024101386 563869297 /nfs/dbraw/zinc/86/92/97/563869297.db2.gz MXJCIQJEYKKRML-UHFFFAOYSA-N -1 0 344.461 4.601 50 0 EJAARM O=C([O-])c1cc(/C=C/c2csc(-c3ccco3)n2)nc2ccccc21 ZINC000058344363 563943225 /nfs/dbraw/zinc/94/32/25/563943225.db2.gz LMUKITZVDOAXDN-BQYQJAHWSA-N -1 0 348.383 4.820 50 0 EJAARM Cc1ccc(Nc2nc(-c3cccs3)c(CC(=O)[O-])s2)c(C)c1 ZINC000000038295 563968619 /nfs/dbraw/zinc/96/86/19/563968619.db2.gz OFUDQHJYHDRYLS-UHFFFAOYSA-N -1 0 344.461 4.859 50 0 EJAARM O=C([O-])Cc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1 ZINC000018196090 564018659 /nfs/dbraw/zinc/01/86/59/564018659.db2.gz CTRSGRMCOOCBEY-UHFFFAOYSA-N -1 0 346.386 4.684 50 0 EJAARM CCCC[C@H](CCC(=O)[O-])NC(=O)CCCCCCc1ccccc1 ZINC000044606690 564027034 /nfs/dbraw/zinc/02/70/34/564027034.db2.gz ANTPELWBOPVWPH-LJQANCHMSA-N -1 0 347.499 4.719 50 0 in-vitro EJAARM O=C(Nc1c2ccccc2oc1C(=O)c1ccc(F)cc1)c1ccco1 ZINC000003655408 564060153 /nfs/dbraw/zinc/06/01/53/564060153.db2.gz HFEVNYDKHYYBOU-UHFFFAOYSA-N -1 0 349.317 4.648 50 0 EJAARM O=S(=O)([N-]c1ccc(-c2ccccc2)cc1)c1ccc(Cl)s1 ZINC000006317231 564084589 /nfs/dbraw/zinc/08/45/89/564084589.db2.gz FVVPDADEIAUFBP-UHFFFAOYSA-N -1 0 349.864 4.869 50 0 EJAARM Cc1cccc(-c2cc(C(=O)[O-])c3c(Br)cccc3n2)c1 ZINC000006860632 564099779 /nfs/dbraw/zinc/09/97/79/564099779.db2.gz NCEHBEDAFMKNFB-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM O=C([O-])[C@H]1[C@H](C(=O)c2ccccc2)[C@H]2CCCCC2=C2CCCC[C@H]21 ZINC000239296815 564106495 /nfs/dbraw/zinc/10/64/95/564106495.db2.gz DKWBQLNOCXTUPX-MTQWCTHYSA-N -1 0 338.447 4.877 50 0 EJAARM O=C([O-])CCCCCCCCCCCNC(=O)NC1CCCCC1 ZINC000013493679 564111746 /nfs/dbraw/zinc/11/17/46/564111746.db2.gz HPTJABJPZMULFH-UHFFFAOYSA-N -1 0 340.508 4.604 50 0 in-vitro EJAARM CC(C)(C)c1nc2cc(NC(=O)c3ccc([O-])c(Cl)c3)ccc2o1 ZINC000040087425 564167924 /nfs/dbraw/zinc/16/79/24/564167924.db2.gz CTHSUMDHIQXGRE-UHFFFAOYSA-N -1 0 344.798 4.737 50 0 EJAARM C[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000040160046 564168442 /nfs/dbraw/zinc/16/84/42/564168442.db2.gz NSSSCEKFRHTZKV-SECBINFHSA-N -1 0 343.732 4.555 50 0 EJAARM C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc([O-])c(Cl)c2)C2CC2)o1 ZINC000071811820 564175587 /nfs/dbraw/zinc/17/55/87/564175587.db2.gz USWPIBHHGRRSJT-IAQYHMDHSA-N -1 0 345.826 4.567 50 0 EJAARM Cc1c(/C=C\c2ccc(F)cc2F)nc2ccccc2c1C(=O)[O-] ZINC000098042495 219073483 /nfs/dbraw/zinc/07/34/83/219073483.db2.gz AHNHIGAGWGJLQL-CLFYSBASSA-N -1 0 325.314 4.690 50 0 EJAARM Cc1nn(-c2ccc(C)cc2C)c(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000004237729 210149011 /nfs/dbraw/zinc/14/90/11/210149011.db2.gz LIQGKCANZRDQPC-UHFFFAOYSA-N -1 0 340.810 4.816 50 0 EJAARM O=C([O-])/C(=C\c1cccc(OCc2ccccc2)c1)c1cccs1 ZINC000004206190 210145497 /nfs/dbraw/zinc/14/54/97/210145497.db2.gz UFJARPROIBLYDR-AQTBWJFISA-N -1 0 336.412 4.952 50 0 EJAARM COc1ccc2nc([N-]c3nc4c(s3)C[C@H](C)CC4)sc2c1 ZINC000004137726 210129680 /nfs/dbraw/zinc/12/96/80/210129680.db2.gz RMRUUBCNQNKVGB-SECBINFHSA-N -1 0 331.466 4.630 50 0 EJAARM Cc1nc2c(-c3ccc(Cl)cc3)c[n-]n2c(=O)c1Cc1ccccc1 ZINC000101962829 219176879 /nfs/dbraw/zinc/17/68/79/219176879.db2.gz KDCALUYSZPOQQU-UHFFFAOYSA-N -1 0 349.821 4.655 50 0 EJAARM CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)[O-])=C[C@@H]21 ZINC000002572326 209870060 /nfs/dbraw/zinc/87/00/60/209870060.db2.gz YOVRGSHRZRJTLZ-HZPDHXFCSA-N -1 0 344.451 4.801 50 0 in-vitro EJAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@H]23)cc1 ZINC000035360400 213022696 /nfs/dbraw/zinc/02/26/96/213022696.db2.gz MITVFTQPBNIBOQ-JLSDUUJJSA-N -1 0 343.810 4.673 50 0 EJAARM Cc1ccc(-c2csc(-c3cc4ccc([O-])cc4oc3=O)n2)cc1C ZINC000000424860 209587124 /nfs/dbraw/zinc/58/71/24/209587124.db2.gz GNGHAEFOFQWKFW-UHFFFAOYSA-N -1 0 349.411 4.906 50 0 EJAARM CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000033087903 212897707 /nfs/dbraw/zinc/89/77/07/212897707.db2.gz MBHJJEFVHXPPCH-DBVUQKKJSA-N -1 0 337.419 4.582 50 0 EJAARM O=C([O-])c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccco1 ZINC000000090136 209413494 /nfs/dbraw/zinc/41/34/94/209413494.db2.gz ANXQEGUBQZAWEX-UHFFFAOYSA-N -1 0 347.779 4.612 50 0 EJAARM O=C(c1ccccc1Cl)c1cc(Cl)cc(Br)c1[O-] ZINC000000058217 209392754 /nfs/dbraw/zinc/39/27/54/209392754.db2.gz YDOASFSKJSZNAO-UHFFFAOYSA-N -1 0 346.007 4.693 50 0 EJAARM O=C([O-])C/C(=C\c1cc2cc(F)ccc2o1)c1nc2ccccc2o1 ZINC000221789680 241479044 /nfs/dbraw/zinc/47/90/44/241479044.db2.gz KZFAOWFZVNOYLV-FMIVXFBMSA-N -1 0 337.306 4.728 50 0 EJAARM CCOc1ccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)cc1 ZINC000003757135 201579608 /nfs/dbraw/zinc/57/96/08/201579608.db2.gz OZUXCIVKCYOOSP-UHFFFAOYSA-N -1 0 327.767 4.652 50 0 EJAARM COc1ccc2cc(-c3cc(C(=O)[O-])c4ccccc4n3)ccc2c1 ZINC000003884991 201583028 /nfs/dbraw/zinc/58/30/28/201583028.db2.gz GOGMULHCVISZHY-UHFFFAOYSA-N -1 0 329.355 4.762 50 0 EJAARM O=C([O-])c1c(Cl)nc(-c2ccccc2Cl)n1-c1ccccc1 ZINC000069949534 203064769 /nfs/dbraw/zinc/06/47/69/203064769.db2.gz CHPJNGYQTSYXOS-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM CCOc1cc(/C=C/c2cc(C(=O)[O-])c3cc(C)ccc3n2)ccc1O ZINC000013005807 211509012 /nfs/dbraw/zinc/50/90/12/211509012.db2.gz ZVDOFMUCEFHIFL-FNORWQNLSA-N -1 0 349.386 4.516 50 0 EJAARM COc1ccc(Oc2ccc(-c3nc(C)c(C(=O)[O-])s3)cc2)cc1 ZINC000011863464 211258834 /nfs/dbraw/zinc/25/88/34/211258834.db2.gz QYNHAKLLGCBKGX-UHFFFAOYSA-N -1 0 341.388 4.618 50 0 EJAARM CCCc1c(=O)n2[n-]c(C)c(-c3ccccc3)c2nc1-c1ccccc1 ZINC000012652912 258055028 /nfs/dbraw/zinc/05/50/28/258055028.db2.gz SCYRREOSJKCYRI-UHFFFAOYSA-N -1 0 343.430 4.618 50 0 EJAARM O=C([O-])c1ccc(Nc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000000098569 563224977 /nfs/dbraw/zinc/22/49/77/563224977.db2.gz CVIWYDGUEMBIQR-UHFFFAOYSA-N -1 0 347.399 4.800 50 0 EJAARM O=C([O-])c1c(Cl)n(-c2ccccc2)nc1-c1ccccc1Cl ZINC000000129904 563238105 /nfs/dbraw/zinc/23/81/05/563238105.db2.gz KJFFPJOZJQPHCC-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1CCCCCCCCCCC1 ZINC000000133415 563239415 /nfs/dbraw/zinc/23/94/15/563239415.db2.gz QEEPPGIQINMYNK-ZWKOTPCHSA-N -1 0 337.504 4.667 50 0 EJAARM O=C([O-])c1c(-c2cccs2)csc1NC(=O)c1ccc(F)cc1 ZINC000000235403 563263765 /nfs/dbraw/zinc/26/37/65/563263765.db2.gz PMYHRLOLKAFCSR-UHFFFAOYSA-N -1 0 347.392 4.566 50 0 EJAARM Cc1c(-c2ccccc2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000000354187 563290489 /nfs/dbraw/zinc/29/04/89/563290489.db2.gz JGKKGUXOCBNLQH-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM CC(C)(C)c1cc(Cl)c(O)c(NC(=O)CCc2ccccc2)c1 ZINC000000617463 563359222 /nfs/dbraw/zinc/35/92/22/563359222.db2.gz BCGQNIYIUUABDK-UHFFFAOYSA-N -1 0 331.843 4.914 50 0 EJAARM COc1ccc(-c2cc(C(=O)[O-])c3cccc(C(F)(F)F)c3n2)cc1 ZINC000001726235 563407704 /nfs/dbraw/zinc/40/77/04/563407704.db2.gz YBCODSRWKYAVEJ-UHFFFAOYSA-N -1 0 347.292 4.627 50 0 EJAARM CCCCCc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000002558643 563441213 /nfs/dbraw/zinc/44/12/13/563441213.db2.gz GAMRBCZMOOMBSQ-CCEZHUSRSA-N -1 0 337.419 4.769 50 0 in-vitro EJAARM O=c1cc(-c2ccccc2)[n-]n1-c1c(Cl)cc(Cl)cc1Cl ZINC000004015974 563492121 /nfs/dbraw/zinc/49/21/21/563492121.db2.gz KDVYKPKKDKFVMG-UHFFFAOYSA-N -1 0 339.609 4.788 50 0 EJAARM CCOc1ccc2nc(SCc3cc(C(=O)[O-])c(C)o3)sc2c1 ZINC000005466693 563533657 /nfs/dbraw/zinc/53/36/57/563533657.db2.gz SJRSLTWUMXKZMJ-UHFFFAOYSA-N -1 0 349.433 4.587 50 0 EJAARM Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc12 ZINC000005730082 563547664 /nfs/dbraw/zinc/54/76/64/563547664.db2.gz KTRTXNKVTOWYJY-UHFFFAOYSA-N -1 0 336.265 4.618 50 0 EJAARM O=C([O-])c1cccc(NC(=O)c2sc3cc(F)ccc3c2Cl)c1 ZINC000002760822 563610208 /nfs/dbraw/zinc/61/02/08/563610208.db2.gz NRGMJHNCTQCDTC-UHFFFAOYSA-N -1 0 349.770 4.644 50 0 EJAARM C/C(=C\C(=O)Nc1ccccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000013488964 563699649 /nfs/dbraw/zinc/69/96/49/563699649.db2.gz PGFQXGLPJUCTOI-WYMLVPIESA-N -1 0 331.371 4.580 50 0 in-vitro EJAARM O=C([O-])COc1ccccc1[C@@H]1O[C@@H]2CCCC[C@@H]2C2=CCCC[C@H]21 ZINC000004028228 563918923 /nfs/dbraw/zinc/91/89/23/563918923.db2.gz IUZPOFVYQIAPHI-NVEXJGOOSA-N -1 0 342.435 4.507 50 0 biogenic EJAARM CCc1ccc(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)cc1 ZINC000000070704 563974162 /nfs/dbraw/zinc/97/41/62/563974162.db2.gz FJIQRSUINYCVIZ-UHFFFAOYSA-N -1 0 340.404 4.520 50 0 EJAARM CCC(CC)c1nc2ccccc2c(Nc2ccc(C(=O)[O-])cc2)n1 ZINC000000136888 563987016 /nfs/dbraw/zinc/98/70/16/563987016.db2.gz ICSMYXNXVFIHEY-UHFFFAOYSA-N -1 0 335.407 4.975 50 0 EJAARM Cc1cccc(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)c1 ZINC000089669054 564001530 /nfs/dbraw/zinc/00/15/30/564001530.db2.gz QLAHMSIXRVZMCM-UHFFFAOYSA-N -1 0 330.598 4.913 50 0 EJAARM Cc1ccc2nc(-c3ccccc3)c(C(=O)c3ccccc3)c(O)c2c1 ZINC000017111796 564011166 /nfs/dbraw/zinc/01/11/66/564011166.db2.gz HJHPOOGFIQIFRC-UHFFFAOYSA-N -1 0 339.394 4.735 50 0 EJAARM O=C([O-])c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 ZINC000005667427 564014270 /nfs/dbraw/zinc/01/42/70/564014270.db2.gz VBHXIWLKRXZTPT-UHFFFAOYSA-N -1 0 340.382 4.905 50 0 EJAARM Cc1ccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)cc1 ZINC000006845936 564015171 /nfs/dbraw/zinc/01/51/71/564015171.db2.gz CYUGXPBBPORCAF-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM O=C([O-])c1cc(-c2ccccc2Cl)n(-c2cccc(Cl)c2)n1 ZINC000005680054 564018304 /nfs/dbraw/zinc/01/83/04/564018304.db2.gz XGPYEVQICAXXTF-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccc(F)cc2)n1 ZINC000000531210 564021633 /nfs/dbraw/zinc/02/16/33/564021633.db2.gz RTXQVGSLEOXNRD-UHFFFAOYSA-N -1 0 332.334 4.934 50 0 EJAARM CC[C@@H](C)c1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)cc1 ZINC000001000882 564053970 /nfs/dbraw/zinc/05/39/70/564053970.db2.gz AGILXBJREXFFKQ-GFCCVEGCSA-N -1 0 346.452 4.517 50 0 EJAARM O=C([O-])c1sc2c(cnc3cc4c(cc23)OCO4)c1-c1ccccc1 ZINC000015828854 564075737 /nfs/dbraw/zinc/07/57/37/564075737.db2.gz UODDCQZIQSZEAN-UHFFFAOYSA-N -1 0 349.367 4.543 50 0 EJAARM CC1(C)CC[C@H](n2c(=O)c3ccccc3[n-]c2=S)c2ccccc21 ZINC000063776525 564076852 /nfs/dbraw/zinc/07/68/52/564076852.db2.gz DWCYLIDGTOSMRN-KRWDZBQOSA-N -1 0 336.460 4.720 50 0 EJAARM CC1(C)CC[C@@H](n2c(=O)c3ccccc3[n-]c2=S)c2ccccc21 ZINC000089919237 564115409 /nfs/dbraw/zinc/11/54/09/564115409.db2.gz DWCYLIDGTOSMRN-QGZVFWFLSA-N -1 0 336.460 4.720 50 0 EJAARM O=C([O-])c1ccccc1Nc1nc2ccccc2c(-c2ccccc2)n1 ZINC000252478573 564119113 /nfs/dbraw/zinc/11/91/13/564119113.db2.gz APRDOFLUILGGQT-UHFFFAOYSA-N -1 0 341.370 4.739 50 0 EJAARM O=C([O-])/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000033658340 564128350 /nfs/dbraw/zinc/12/83/50/564128350.db2.gz LBMPAUAWVBTCMW-AATRIKPKSA-N -1 0 341.165 4.809 50 0 EJAARM C[C@H]1CCCC[C@@H]1Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000002409187 564134611 /nfs/dbraw/zinc/13/46/11/564134611.db2.gz PSINKMOSZHXTLD-YOEHRIQHSA-N -1 0 333.435 4.993 50 0 EJAARM C[C@H](C(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004024651 564160098 /nfs/dbraw/zinc/16/00/98/564160098.db2.gz NPBNRBWMDNZEBN-ARUPBPLLSA-N -1 0 346.511 4.647 50 0 biogenic,in-vitro EJAARM Fc1cccc2sc([N-]c3nc4cc5c(cc4s3)OCO5)nc21 ZINC000004137836 564160889 /nfs/dbraw/zinc/16/08/89/564160889.db2.gz JJKHOQBSMMMHLO-UHFFFAOYSA-N -1 0 345.380 4.517 50 0 aggregator EJAARM O=C([O-])C/C(=C/c1ccccc1Cl)c1nc2ccccc2s1 ZINC000008379947 564164790 /nfs/dbraw/zinc/16/47/90/564164790.db2.gz SRBKRISHGKNMNQ-XFXZXTDPSA-N -1 0 329.808 4.965 50 0 EJAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2ccc(Br)cc21 ZINC000004241799 210149814 /nfs/dbraw/zinc/14/98/14/210149814.db2.gz ISZBWDZOXRAFRV-UHFFFAOYSA-N -1 0 346.155 4.502 50 0 EJAARM COc1ccc2nc([N-]c3nc4c(s3)C[C@@H](C)CC4)sc2c1 ZINC000004137727 210129948 /nfs/dbraw/zinc/12/99/48/210129948.db2.gz RMRUUBCNQNKVGB-VIFPVBQESA-N -1 0 331.466 4.630 50 0 EJAARM Fc1cccc2sc([N-]c3nc(-c4cccnc4)cs3)nc21 ZINC000004061284 210110007 /nfs/dbraw/zinc/11/00/07/210110007.db2.gz GREQIPQVWRKGQH-UHFFFAOYSA-N -1 0 328.397 4.698 50 0 EJAARM O=C([O-])C1(c2ccc(-c3ccc(Cl)c(Cl)c3)c(F)c2)CC1 ZINC000003986651 210097912 /nfs/dbraw/zinc/09/79/12/210097912.db2.gz LIYLTQQDABRNRX-UHFFFAOYSA-N -1 0 325.166 4.916 50 0 in-vitro EJAARM O=C([O-])Cc1sc(Nc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000003911089 210092744 /nfs/dbraw/zinc/09/27/44/210092744.db2.gz RSTIZJLIEOPNLD-UHFFFAOYSA-N -1 0 344.823 4.834 50 0 EJAARM Fc1ccc(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000003905368 210089962 /nfs/dbraw/zinc/08/99/62/210089962.db2.gz ARILRVFRJMXBAR-UHFFFAOYSA-N -1 0 329.444 4.537 50 0 EJAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1ccc(O)cc1 ZINC000003885077 210083515 /nfs/dbraw/zinc/08/35/15/210083515.db2.gz RBZGMDZGZGUXIP-WYMLVPIESA-N -1 0 331.371 4.516 50 0 EJAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2cc(Cl)ccc2n1 ZINC000003757133 210073224 /nfs/dbraw/zinc/07/32/24/210073224.db2.gz WXUKMVSZQUJNKK-UHFFFAOYSA-N -1 0 327.767 4.652 50 0 EJAARM C[C@@H](Cc1ccc(OCCCc2ccccc2)c(Cl)c1)C(=O)[O-] ZINC000043191089 213568177 /nfs/dbraw/zinc/56/81/77/213568177.db2.gz AHHBRWBRRYTQRU-AWEZNQCLSA-N -1 0 332.827 4.615 50 0 EJAARM Cc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])cc1 ZINC000002702312 209892085 /nfs/dbraw/zinc/89/20/85/209892085.db2.gz MFPNPSMSLMMAGU-UHFFFAOYSA-N -1 0 331.371 4.613 50 0 EJAARM O=C([O-])c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000002521415 209863220 /nfs/dbraw/zinc/86/32/20/209863220.db2.gz BDVPMGPZTOMHBM-UHFFFAOYSA-N -1 0 331.582 4.924 50 0 EJAARM CC(C)c1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc(C(C)C)c1 ZINC000000391331 209567323 /nfs/dbraw/zinc/56/73/23/209567323.db2.gz YTKZWBUAFYTTPV-UHFFFAOYSA-N -1 0 325.408 4.884 50 0 EJAARM Cc1ccc(-n2nc(-c3ccc(CC(C)C)cc3)cc2C(=O)[O-])cc1 ZINC000025762190 212496475 /nfs/dbraw/zinc/49/64/75/212496475.db2.gz HQACGJOFVYYNFD-UHFFFAOYSA-N -1 0 334.419 4.744 50 0 EJAARM Cc1c(Cl)ccc2c1ncc(C(=O)[O-])c2N(C)Cc1ccccc1 ZINC000019795493 212069335 /nfs/dbraw/zinc/06/93/35/212069335.db2.gz OULNAJXXOXWGSK-UHFFFAOYSA-N -1 0 340.810 4.531 50 0 EJAARM CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)[O-])cc21 ZINC000015828884 211856108 /nfs/dbraw/zinc/85/61/08/211856108.db2.gz BVFMGIRJQCWGPY-UHFFFAOYSA-N -1 0 327.767 4.652 50 0 EJAARM Cc1[n-]n2c(nc(-c3ccccc3Cl)cc2=O)c1-c1ccccc1 ZINC000009183691 211049198 /nfs/dbraw/zinc/04/91/98/211049198.db2.gz OYQVBLSMLASAMI-UHFFFAOYSA-N -1 0 335.794 4.731 50 0 EJAARM CC(C)(C)c1ccc(C(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000008048447 210888027 /nfs/dbraw/zinc/88/80/27/210888027.db2.gz BWNCZNRVBLUTJV-UHFFFAOYSA-N -1 0 328.433 4.657 50 0 EJAARM O=C([O-])c1cc(-c2ccccc2Cl)n(-c2ccc(Cl)cc2)n1 ZINC000005680042 210514300 /nfs/dbraw/zinc/51/43/00/210514300.db2.gz WAZSDFQNYYOXLO-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccccc1F ZINC000004815211 210284877 /nfs/dbraw/zinc/28/48/77/210284877.db2.gz BDXYTOXVLQEEHP-UHFFFAOYSA-N -1 0 341.363 4.505 50 0 EJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)cc1 ZINC000000998831 563367416 /nfs/dbraw/zinc/36/74/16/563367416.db2.gz JOLHAGZYGBJFBE-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2ccccc2F)n1 ZINC000001246930 563381268 /nfs/dbraw/zinc/38/12/68/563381268.db2.gz WXRFHQWFZXASFB-UHFFFAOYSA-N -1 0 331.350 4.885 50 0 EJAARM CCOc1cccc(-c2cc(C(=O)[O-])c3cc(Cl)ccc3n2)c1 ZINC000003757134 563487872 /nfs/dbraw/zinc/48/78/72/563487872.db2.gz RVRKQSRUWLJSAG-UHFFFAOYSA-N -1 0 327.767 4.652 50 0 EJAARM CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)cc1 ZINC000004525765 563504298 /nfs/dbraw/zinc/50/42/98/563504298.db2.gz YWEDJRWWLOEFCP-UHFFFAOYSA-N -1 0 341.407 4.580 50 0 EJAARM COc1cc(C(=O)[O-])cc(Cl)c1OCc1cccc2ccccc21 ZINC000007604039 563607528 /nfs/dbraw/zinc/60/75/28/563607528.db2.gz ZWXIZOWBMNUTBU-UHFFFAOYSA-N -1 0 342.778 4.779 50 0 EJAARM O=C([O-])[C@@H]1CC(c2ccc3c(c2)CCCC3)=Nc2ccccc2S1 ZINC000016776746 563822946 /nfs/dbraw/zinc/82/29/46/563822946.db2.gz PAKGBKFTJUEOJX-IBGZPJMESA-N -1 0 337.444 4.635 50 0 EJAARM Cc1sc2[n-]c(=S)n([C@@H]3C[C@H]3Cc3ccccc3)c(=O)c2c1C ZINC000017071599 563834633 /nfs/dbraw/zinc/83/46/33/563834633.db2.gz NSQDUKTXVNCURY-ZIAGYGMSSA-N -1 0 342.489 4.541 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)nn1-c1cccc(Cl)c1 ZINC000025762234 563887989 /nfs/dbraw/zinc/88/79/89/563887989.db2.gz ZKEYKFOYHNEQLF-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM CCc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(C(=O)[O-])cc1)N2 ZINC000033087902 563963428 /nfs/dbraw/zinc/96/34/28/563963428.db2.gz MBHJJEFVHXPPCH-VDGAXYAQSA-N -1 0 337.419 4.582 50 0 EJAARM Cc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c2ccccc12 ZINC000004673296 563963628 /nfs/dbraw/zinc/96/36/28/563963628.db2.gz SWQGRINZHSJUQA-UHFFFAOYSA-N -1 0 339.778 4.752 50 0 EJAARM Cc1ccc(C)c(-c2csc(Nc3ccc(O)c(C(=O)[O-])c3)n2)c1 ZINC000000070718 563974144 /nfs/dbraw/zinc/97/41/44/563974144.db2.gz FTEFWKWWPUHYIB-UHFFFAOYSA-N -1 0 340.404 4.574 50 0 EJAARM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000000205267 563988505 /nfs/dbraw/zinc/98/85/05/563988505.db2.gz KMDWWRICFITKHP-CQSZACIVSA-N -1 0 340.448 4.549 50 0 EJAARM Cc1ccc(C)c(-c2csc(-c3cc4ccc([O-])cc4oc3=O)n2)c1 ZINC000000368159 563991782 /nfs/dbraw/zinc/99/17/82/563991782.db2.gz JXUHTPZBLBTUAM-UHFFFAOYSA-N -1 0 349.411 4.906 50 0 EJAARM [S-]c1ccccc1-c1nc(-c2ccccc2)nn1-c1ccccc1 ZINC000005516858 564004990 /nfs/dbraw/zinc/00/49/90/564004990.db2.gz YLDNPHCNEQFXHD-UHFFFAOYSA-N -1 0 329.428 4.890 50 0 EJAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1ccc(Cl)cc1 ZINC000005731163 564024596 /nfs/dbraw/zinc/02/45/96/564024596.db2.gz LIVWZNRIYNUFRC-UHFFFAOYSA-N -1 0 340.684 4.838 50 0 EJAARM COc1ccc(-n2c(=S)[n-]nc2[C@H]2C[C@H]2c2ccc(C)cc2)cc1 ZINC000006533828 564091682 /nfs/dbraw/zinc/09/16/82/564091682.db2.gz SQYRRWLGSBFELZ-IRXDYDNUSA-N -1 0 337.448 4.518 50 0 EJAARM Cc1ccc2[n-]cc(-c3nc(-c4ccc(C(C)C)cc4)no3)c(=O)c2c1 ZINC000057354773 564153670 /nfs/dbraw/zinc/15/36/70/564153670.db2.gz GLHHSQTWRBYJFR-UHFFFAOYSA-N -1 0 345.402 4.677 50 0 EJAARM Cc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)[O-])s1 ZINC000004614881 210231414 /nfs/dbraw/zinc/23/14/14/210231414.db2.gz ILVJMLSKFFGWPF-UHFFFAOYSA-N -1 0 325.389 4.538 50 0 EJAARM CC(C)[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1Cl ZINC000061718241 214674081 /nfs/dbraw/zinc/67/40/81/214674081.db2.gz FJGBYACUUULRIP-JTQLQIEISA-N -1 0 349.839 4.849 50 0 EJAARM O=C1CC(c2ccccc2)CC([O-])=C1Sc1ccc(Cl)cc1 ZINC000100584220 219101925 /nfs/dbraw/zinc/10/19/25/219101925.db2.gz ZOFGRWIFFHMFBP-UHFFFAOYSA-N -1 0 330.836 4.517 50 0 EJAARM COc1cccc2sc([N-]c3nc4c(cccc4F)s3)nc21 ZINC000004137652 210128887 /nfs/dbraw/zinc/12/88/87/210128887.db2.gz BOXPKVCNVBPZOL-UHFFFAOYSA-N -1 0 331.397 4.797 50 0 EJAARM CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000004082710 210114232 /nfs/dbraw/zinc/11/42/32/210114232.db2.gz DPNOTBLPQOITGU-LDDQNKHRSA-N -1 0 338.488 4.504 50 0 biogenic,in-vitro EJAARM C[C@H](C(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004024650 210101863 /nfs/dbraw/zinc/10/18/63/210101863.db2.gz NPBNRBWMDNZEBN-ZLWIHRGSSA-N -1 0 346.511 4.647 50 0 biogenic,in-vitro EJAARM CCc1cc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2cc1[O-] ZINC000003885769 210084055 /nfs/dbraw/zinc/08/40/55/210084055.db2.gz XZTZOZVNABCBRE-UHFFFAOYSA-N -1 0 332.758 4.829 50 0 EJAARM COc1ccc(-c2ccc(-c3cc(C(=O)[O-])c4ccccc4n3)o2)cc1 ZINC000067299803 215131733 /nfs/dbraw/zinc/13/17/33/215131733.db2.gz GXBSABSRMCRKOC-UHFFFAOYSA-N -1 0 345.354 4.869 50 0 EJAARM CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c([O-])cc12 ZINC000068755296 215330918 /nfs/dbraw/zinc/33/09/18/215330918.db2.gz BKDRBYOQHXFQME-UHFFFAOYSA-N -1 0 344.208 4.610 50 0 EJAARM O=C([O-])c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 ZINC000000445595 209605007 /nfs/dbraw/zinc/60/50/07/209605007.db2.gz PGXDNXZAXCIRCM-UHFFFAOYSA-N -1 0 340.382 4.905 50 0 EJAARM O=C([O-])Cc1sc(Nc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000000424285 209587114 /nfs/dbraw/zinc/58/71/14/209587114.db2.gz TWLWKVANWHRFJX-UHFFFAOYSA-N -1 0 344.823 4.834 50 0 EJAARM COc1c(O)c2c(cc1C(C)C)CC[C@H]1C(C)(C)CCC[C@]21C(=O)[O-] ZINC000035455412 202304985 /nfs/dbraw/zinc/30/49/85/202304985.db2.gz QQNSARJGBPMQDI-YCRPNKLZSA-N -1 0 346.467 4.619 50 0 biogenic,in-vitro EJAARM Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)cc1 ZINC000000277202 209516412 /nfs/dbraw/zinc/51/64/12/209516412.db2.gz DUOSYOXXNSSHNT-UHFFFAOYSA-N -1 0 347.370 4.738 50 0 EJAARM O=C([O-])c1cccc(Nc2ncnc3sc(-c4ccccc4)cc32)c1 ZINC000000064872 209397339 /nfs/dbraw/zinc/39/73/39/209397339.db2.gz HKDXQXQGYQOLOD-UHFFFAOYSA-N -1 0 347.399 4.800 50 0 EJAARM Cc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc(C)c1O ZINC000005131040 201057446 /nfs/dbraw/zinc/05/74/46/201057446.db2.gz RZJWADZGYMMUSA-NTEUORMPSA-N -1 0 339.416 4.634 50 0 EJAARM CC(C)Cc1ccc(-c2cc(C(=O)[O-])n(-c3ccccc3F)n2)cc1 ZINC000025762567 212496586 /nfs/dbraw/zinc/49/65/86/212496586.db2.gz PXWZTMBUCQXVSW-UHFFFAOYSA-N -1 0 338.382 4.575 50 0 EJAARM COc1ccc(/C(=C/C(=O)[O-])c2cc3cc(Cl)ccc3o2)cc1 ZINC000072187987 203183485 /nfs/dbraw/zinc/18/34/85/203183485.db2.gz ZWSLTVKCHIZWRU-GDNBJRDFSA-N -1 0 328.751 4.611 50 0 EJAARM CC[C@H](C)c1ccc(N[C@H](c2ccsc2)[P@@](=O)([O-])O)cc1 ZINC000012526551 211399153 /nfs/dbraw/zinc/39/91/53/211399153.db2.gz GFRMMYOFIZTLHS-NHYWBVRUSA-N -1 0 325.370 4.550 50 0 EJAARM CC[C@H](C)c1ccc(N[C@@H](c2ccsc2)[P@@](=O)([O-])O)cc1 ZINC000012526549 211399034 /nfs/dbraw/zinc/39/90/34/211399034.db2.gz GFRMMYOFIZTLHS-XHDPSFHLSA-N -1 0 325.370 4.550 50 0 EJAARM O=C([O-])c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccccc1O ZINC000005510886 210478812 /nfs/dbraw/zinc/47/88/12/210478812.db2.gz CIHBNQUFAOKDFV-UHFFFAOYSA-N -1 0 349.173 4.689 50 0 EJAARM O=C([O-])c1cc(OCc2ccccc2)ccc1OCc1ccccc1 ZINC000004800424 210279862 /nfs/dbraw/zinc/27/98/62/210279862.db2.gz JCXIICUMJCMYAV-UHFFFAOYSA-N -1 0 334.371 4.543 50 0 EJAARM Cc1ccc2nc(-c3cccc(OCC(C)C)c3)cc(C(=O)[O-])c2c1 ZINC000000373471 563298018 /nfs/dbraw/zinc/29/80/18/563298018.db2.gz KQCMTINULIFPGT-UHFFFAOYSA-N -1 0 335.403 4.943 50 0 EJAARM Cc1ccnc([N-]c2nc3ccc(Cl)cc3c(-c3ccccc3)n2)n1 ZINC000000543610 563344192 /nfs/dbraw/zinc/34/41/92/563344192.db2.gz ZDXFIULTOTWEBN-UHFFFAOYSA-N -1 0 347.809 4.792 50 0 EJAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2cccc(F)c2)n1 ZINC000001302734 563383187 /nfs/dbraw/zinc/38/31/87/563383187.db2.gz MUBZHTSGAUKMLB-UHFFFAOYSA-N -1 0 331.350 4.885 50 0 EJAARM CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000002543614 563440273 /nfs/dbraw/zinc/44/02/73/563440273.db2.gz XBFFWUXQRIRPCQ-QGZVFWFLSA-N -1 0 349.430 4.907 50 0 EJAARM CCCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@H](C(C)(C)C)CC3 ZINC000005925225 563554223 /nfs/dbraw/zinc/55/42/23/563554223.db2.gz MMUNBIZIULBPRB-SNVBAGLBSA-N -1 0 336.526 4.682 50 0 EJAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000007603922 563607149 /nfs/dbraw/zinc/60/71/49/563607149.db2.gz NWLIZYAECDDHKR-UHFFFAOYSA-N -1 0 341.190 4.669 50 0 EJAARM CSc1cccc2sc([N-]c3nc(C)c(C(C)=O)s3)nc21 ZINC000004359826 563669431 /nfs/dbraw/zinc/66/94/31/563669431.db2.gz MANXMPWOSQFHHN-UHFFFAOYSA-N -1 0 335.479 4.729 50 0 EJAARM Cc1ccc(Oc2ccccc2NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000032873868 563771542 /nfs/dbraw/zinc/77/15/42/563771542.db2.gz AKIFEIIAYMAZEP-UHFFFAOYSA-N -1 0 341.407 4.617 50 0 EJAARM O=C([O-])c1cc2ccccc2c(Cc2c(O)ccc3ccccc32)c1O ZINC000044122913 563926149 /nfs/dbraw/zinc/92/61/49/563926149.db2.gz HLWNYNJVWZLKCP-UHFFFAOYSA-N -1 0 344.366 4.693 50 0 EJAARM Cc1oc2ccc(OCc3c(F)cccc3Cl)cc2c1C(=O)[O-] ZINC000000083671 563974864 /nfs/dbraw/zinc/97/48/64/563974864.db2.gz QNTZJGUJLUFVFQ-UHFFFAOYSA-N -1 0 334.730 4.811 50 0 EJAARM Cc1[n-]n2c(nc(-c3ccccc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000100756902 563982748 /nfs/dbraw/zinc/98/27/48/563982748.db2.gz WBPCUNIKEXLCCF-UHFFFAOYSA-N -1 0 335.794 4.731 50 0 EJAARM CCCC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000000259790 563989595 /nfs/dbraw/zinc/98/95/95/563989595.db2.gz SSEFOYHOJGBXOI-UHFFFAOYSA-N -1 0 349.839 4.928 50 0 EJAARM O=C([O-])CCCc1c(-c2ccccn2)[nH]c2cc(Cl)cc(Cl)c21 ZINC000001020478 564054144 /nfs/dbraw/zinc/05/41/44/564054144.db2.gz FURFHWYYOMVTLP-UHFFFAOYSA-N -1 0 349.217 4.944 50 0 EJAARM Cc1ccc([C@H](CC(=O)c2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000001397690 564064781 /nfs/dbraw/zinc/06/47/81/564064781.db2.gz WYXQBMOYMYWDLV-ZDUSSCGKSA-N -1 0 337.202 4.743 50 0 EJAARM O=c1nc(CSc2cc(Cl)ccc2Cl)[n-]c2ccsc21 ZINC000005173802 564070849 /nfs/dbraw/zinc/07/08/49/564070849.db2.gz QLRLWGORBSPQFM-UHFFFAOYSA-N -1 0 343.260 4.584 50 0 EJAARM COC(=O)c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)c(O)c1 ZINC000575409802 564078875 /nfs/dbraw/zinc/07/88/75/564078875.db2.gz NWQFJEKEHLXGPS-UHFFFAOYSA-N -1 0 330.689 4.518 50 0 EJAARM O=C([O-])CC1(CC(=O)Nc2ccc(Cl)c(Cl)c2)CCCCC1 ZINC000006590094 564092419 /nfs/dbraw/zinc/09/24/19/564092419.db2.gz RVRXDVPZFNBSFV-UHFFFAOYSA-N -1 0 344.238 4.747 50 0 EJAARM Cc1cc2nc(/C=C/c3ccc(OCC(=O)[O-])cc3)sc2cc1C ZINC000006826335 564098965 /nfs/dbraw/zinc/09/89/65/564098965.db2.gz HXUFKEFILVDOEY-VMPITWQZSA-N -1 0 339.416 4.547 50 0 EJAARM CC[C@@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000007057703 564103961 /nfs/dbraw/zinc/10/39/61/564103961.db2.gz ZECATRSVVRXUSA-LLVKDONJSA-N -1 0 341.835 4.793 50 0 EJAARM C[C@@H](OC(=O)c1cc(Cl)c([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000007780416 564123159 /nfs/dbraw/zinc/12/31/59/564123159.db2.gz JQFYHJGWSTXDRI-MRVPVSSYSA-N -1 0 329.154 4.756 50 0 EJAARM O=C([O-])/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000108051869 564128755 /nfs/dbraw/zinc/12/87/55/564128755.db2.gz CWOPAAHITDMZTK-SNAWJCMRSA-N -1 0 341.165 4.809 50 0 EJAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)Nc1ccc(F)cc1F ZINC000095980384 564143701 /nfs/dbraw/zinc/14/37/01/564143701.db2.gz LJDNGVCEOOHAOO-UHFFFAOYSA-N -1 0 333.121 4.621 50 0 EJAARM O=C([O-])c1cc(Nc2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000003018341 564154448 /nfs/dbraw/zinc/15/44/48/564154448.db2.gz KSHWPTYAAKJGQW-UHFFFAOYSA-N -1 0 332.281 4.695 50 0 EJAARM C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc([O-])c(Cl)c2)C2CC2)o1 ZINC000071811821 564175590 /nfs/dbraw/zinc/17/55/90/564175590.db2.gz USWPIBHHGRRSJT-XHDPSFHLSA-N -1 0 345.826 4.567 50 0 EJAARM O=C([O-])CCC/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 ZINC000057645306 214438530 /nfs/dbraw/zinc/43/85/30/214438530.db2.gz WBPUBROMCHFIKB-KAMYIIQDSA-N -1 0 339.416 4.797 50 0 EJAARM COc1cccc2sc([N-]c3nc4c(s3)C[C@H](C)CC4)nc21 ZINC000004121608 210125923 /nfs/dbraw/zinc/12/59/23/210125923.db2.gz BWWANEKEBKYIPD-SECBINFHSA-N -1 0 331.466 4.630 50 0 EJAARM CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000002573393 209870029 /nfs/dbraw/zinc/87/00/29/209870029.db2.gz VQLWORYWCJWAAP-UHFFFAOYSA-N -1 0 342.391 4.563 50 0 EJAARM Cc1cc(Cl)ccc1O[C@@H](C)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000035655145 213044218 /nfs/dbraw/zinc/04/42/18/213044218.db2.gz DSRUKUHRZKXSPF-JTQLQIEISA-N -1 0 340.206 4.837 50 0 EJAARM Cc1c(-c2cccs2)nc2ccc(Br)cc2c1C(=O)[O-] ZINC000000115299 209430740 /nfs/dbraw/zinc/43/07/40/209430740.db2.gz GBDGYUJCUJUZJG-UHFFFAOYSA-N -1 0 348.221 4.732 50 0 EJAARM Cc1c(-c2ccc(OCC(C)C)cc2)nc2ccccc2c1C(=O)[O-] ZINC000000115713 201435839 /nfs/dbraw/zinc/43/58/39/201435839.db2.gz JDOIZVWEVFIYFZ-UHFFFAOYSA-N -1 0 335.403 4.943 50 0 EJAARM O=C([O-])c1cccc2c1N[C@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000022115700 212277900 /nfs/dbraw/zinc/27/79/00/212277900.db2.gz CGCADNMILNKOBY-RTBURBONSA-N -1 0 330.387 4.705 50 0 EJAARM O=C([O-])Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000000169128 201443389 /nfs/dbraw/zinc/44/33/89/201443389.db2.gz IGIVWRJICPRDTF-UHFFFAOYSA-N -1 0 329.808 4.758 50 0 EJAARM [O-]c1cn(-c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 ZINC000215850271 241150750 /nfs/dbraw/zinc/15/07/50/241150750.db2.gz UYRKZXFQSGTXST-UHFFFAOYSA-N -1 0 349.615 4.661 50 0 EJAARM CCCCOC(=O)N=c1[n-]nc(-c2ccc(C(C)(C)C)cc2)s1 ZINC000003666090 201579638 /nfs/dbraw/zinc/57/96/38/201579638.db2.gz ILNMYYBPRQRBJA-UHFFFAOYSA-N -1 0 333.457 4.851 50 0 EJAARM CCO[P@@](C)(=O)[C@H](C(=O)[O-])c1csc2ccc(Cl)cc21 ZINC000082048684 217460954 /nfs/dbraw/zinc/46/09/54/217460954.db2.gz XQUUWINBTHXKLR-HXPMCKFVSA-N -1 0 332.745 4.625 50 0 EJAARM O=c1nc(CSc2c(Cl)cccc2Cl)[n-]c2ccsc21 ZINC000010276881 211160345 /nfs/dbraw/zinc/16/03/45/211160345.db2.gz ADLDJLUBGZOUCH-UHFFFAOYSA-N -1 0 343.260 4.584 50 0 EJAARM O=C([O-])c1sc(/C=C\c2ccc(F)c(F)c2)nc1-c1ccccc1 ZINC000096920013 218899170 /nfs/dbraw/zinc/89/91/70/218899170.db2.gz JVUHEIMUGURDQT-CLFYSBASSA-N -1 0 343.354 4.957 50 0 EJAARM CCc1ccc(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000005041461 210371246 /nfs/dbraw/zinc/37/12/46/210371246.db2.gz VIPZASGAGWISNI-UHFFFAOYSA-N -1 0 339.508 4.960 50 0 EJAARM Cc1cccc(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)c1 ZINC000004983223 210348718 /nfs/dbraw/zinc/34/87/18/210348718.db2.gz JXFMESFTPPTKDU-UHFFFAOYSA-N -1 0 325.481 4.706 50 0 EJAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2)c1 ZINC000328578965 258017394 /nfs/dbraw/zinc/01/73/94/258017394.db2.gz CEBZWIUKEOEWDE-UHFFFAOYSA-N -1 0 327.742 4.906 50 0 EJAARM Cc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])cc1 ZINC000000098587 563225359 /nfs/dbraw/zinc/22/53/59/563225359.db2.gz UZPMFLMXOOMEAG-UHFFFAOYSA-N -1 0 337.400 4.674 50 0 EJAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1CCCCCCCCCCC1 ZINC000000133423 563239429 /nfs/dbraw/zinc/23/94/29/563239429.db2.gz QEEPPGIQINMYNK-MSOLQXFVSA-N -1 0 337.504 4.667 50 0 EJAARM Cc1cccc(C(=O)Nc2scc(-c3cccs3)c2C(=O)[O-])c1 ZINC000000351835 563289753 /nfs/dbraw/zinc/28/97/53/563289753.db2.gz QOBRSWNBXPUNIU-UHFFFAOYSA-N -1 0 343.429 4.736 50 0 EJAARM Cc1c(-c2ccc(Br)cc2)nc2ccccc2c1C(=O)[O-] ZINC000000373212 563298023 /nfs/dbraw/zinc/29/80/23/563298023.db2.gz JSAWRWPKTYEFTR-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM Cc1cccc2c(C(=O)[O-])cc(-c3cccc(Br)c3)nc12 ZINC000000373702 563298057 /nfs/dbraw/zinc/29/80/57/563298057.db2.gz INTXREIJSDMVSH-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM CSc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000609746 563352996 /nfs/dbraw/zinc/35/29/96/563352996.db2.gz MAPINOBTBTTWCB-UHFFFAOYSA-N -1 0 348.276 4.516 50 0 EJAARM O=c1c2c3c(sc2[n-]c(=S)n1C1CCCCC1)CCCCC3 ZINC000001249240 563381262 /nfs/dbraw/zinc/38/12/62/563381262.db2.gz UNIIZBKFKMCNFN-UHFFFAOYSA-N -1 0 334.510 4.895 50 0 EJAARM O=C([O-])c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 ZINC000001400637 563387471 /nfs/dbraw/zinc/38/74/71/563387471.db2.gz DATGNBAKWXHSMN-UHFFFAOYSA-N -1 0 329.324 4.742 50 0 EJAARM CC(C)c1ccc(C(=O)C[C@@H](C(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000002543459 563440286 /nfs/dbraw/zinc/44/02/86/563440286.db2.gz PTZCDQVNXDWXFD-QGZVFWFLSA-N -1 0 335.403 4.733 50 0 EJAARM CCCCC1CCC([C@H](C)OC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000004659044 563506925 /nfs/dbraw/zinc/50/69/25/563506925.db2.gz PVGZFRRNZJEOQV-FHERZECASA-N -1 0 332.440 4.927 50 0 EJAARM CCc1cc2c(cc1[O-])occ(-c1csc(-c3ccccc3)n1)c2=O ZINC000005686759 563545555 /nfs/dbraw/zinc/54/55/55/563545555.db2.gz XZYCUXKGLZJNRL-UHFFFAOYSA-N -1 0 349.411 4.852 50 0 EJAARM O=C([O-])c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000005713502 563546745 /nfs/dbraw/zinc/54/67/45/563546745.db2.gz YLRVNVFRKCEBEP-UHFFFAOYSA-N -1 0 331.582 4.924 50 0 EJAARM COc1ccc(-c2nc3ccc(Cl)cc3c(C(=O)[O-])c2C)cc1 ZINC000006254286 563562599 /nfs/dbraw/zinc/56/25/99/563562599.db2.gz RXTVTPPXVIJGNQ-UHFFFAOYSA-N -1 0 327.767 4.570 50 0 EJAARM O=C([O-])CCCc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000006751207 563585344 /nfs/dbraw/zinc/58/53/44/563585344.db2.gz PIROIPXGZZUAQU-UHFFFAOYSA-N -1 0 327.811 4.750 50 0 EJAARM COc1cccc(Nc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000013121818 563688886 /nfs/dbraw/zinc/68/88/86/563688886.db2.gz JNZDFSCGJJRAJT-UHFFFAOYSA-N -1 0 343.386 4.755 50 0 EJAARM CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1 ZINC000014256058 563756397 /nfs/dbraw/zinc/75/63/97/563756397.db2.gz JKVUQGBQHDBUOP-UHFFFAOYSA-N -1 0 343.370 4.630 50 0 EJAARM O=C([O-])c1ccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3OCCC[C@@H]23)cc1 ZINC000015017247 563772970 /nfs/dbraw/zinc/77/29/70/563772970.db2.gz MITVFTQPBNIBOQ-WBAXXEDZSA-N -1 0 343.810 4.673 50 0 EJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@@H]2c1ccccc1 ZINC000015082120 563777214 /nfs/dbraw/zinc/77/72/14/563777214.db2.gz LMCATMMZRMMYFV-CQSZACIVSA-N -1 0 349.411 4.587 50 0 EJAARM O=C([O-])[C@H]1CC(c2ccc3c(c2)CCCC3)=Nc2ccccc2S1 ZINC000016776749 563822968 /nfs/dbraw/zinc/82/29/68/563822968.db2.gz PAKGBKFTJUEOJX-LJQANCHMSA-N -1 0 337.444 4.635 50 0 EJAARM Cc1cccc(-n2nc(-c3ccc(Cl)cc3Cl)cc2C(=O)[O-])c1 ZINC000025763127 563888355 /nfs/dbraw/zinc/88/83/55/563888355.db2.gz CRMANJSACRBXOJ-UHFFFAOYSA-N -1 0 347.201 4.853 50 0 EJAARM Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(/C=C/C(=O)[O-])c1 ZINC000000035046 563968042 /nfs/dbraw/zinc/96/80/42/563968042.db2.gz JQMVUAYFYRCGHV-ZHACJKMWSA-N -1 0 347.370 4.605 50 0 EJAARM CC(C)c1nc2sc3c([n-]c(=S)[nH]c3=O)c2c2c1CCCC2 ZINC000017822602 564013059 /nfs/dbraw/zinc/01/30/59/564013059.db2.gz LPSZYSLEMTUXMK-UHFFFAOYSA-N -1 0 331.466 4.610 50 0 EJAARM O=C([O-])/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000008378969 564016187 /nfs/dbraw/zinc/01/61/87/564016187.db2.gz NKBYHMYKGIUBAZ-ZZXKWVIFSA-N -1 0 341.165 4.809 50 0 EJAARM O=C([O-])c1ccc(/C=C\C(=O)c2ccc(N3CCCCCC3)cc2)cc1 ZINC000096765767 564050950 /nfs/dbraw/zinc/05/09/50/564050950.db2.gz LFTBQYUMIGRQKW-AUWJEWJLSA-N -1 0 349.430 4.661 50 0 EJAARM CC(N=Nc1nc2ccccc2s1)N=Nc1ccc(C(=O)[O-])cc1 ZINC000022016755 564051487 /nfs/dbraw/zinc/05/14/87/564051487.db2.gz VCMUOVONKMRBJR-MNJINHJASA-N -1 0 339.380 4.524 50 0 EJAARM O=c1[n-]n(-c2ccc(Cl)c(Cl)c2)cc1-c1cccc(Cl)c1 ZINC000005944293 564057238 /nfs/dbraw/zinc/05/72/38/564057238.db2.gz VOKWTPLQJYKLOS-UHFFFAOYSA-N -1 0 339.609 4.793 50 0 EJAARM Cc1ccc(C(=O)Nc2cc(-c3ccccc3)sc2C(=O)[O-])s1 ZINC000012601089 564060412 /nfs/dbraw/zinc/06/04/12/564060412.db2.gz REVMIOVUEOHGRS-UHFFFAOYSA-N -1 0 343.429 4.736 50 0 EJAARM O=C([O-])c1ccc2cc(-c3ccccc3)c(C(=O)c3ccccc3)n2c1 ZINC000001299308 564063090 /nfs/dbraw/zinc/06/30/90/564063090.db2.gz RONJEQSQVHVUKT-UHFFFAOYSA-N -1 0 341.366 4.536 50 0 EJAARM COc1ccc(COc2ccc([C@@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000043190929 564076183 /nfs/dbraw/zinc/07/61/83/564076183.db2.gz DETVUMCTRQOZIW-LBPRGKRZSA-N -1 0 334.799 4.506 50 0 EJAARM CCOc1ccc(-n2c(=S)[n-]nc2Nc2ccc(Cl)cc2)cc1 ZINC000075249811 564081182 /nfs/dbraw/zinc/08/11/82/564081182.db2.gz OMINEQQWHCVRAL-UHFFFAOYSA-N -1 0 346.843 4.726 50 0 EJAARM Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(O)c1 ZINC000013228437 564081626 /nfs/dbraw/zinc/08/16/26/564081626.db2.gz YKZFBYGKWSTWIZ-UHFFFAOYSA-N -1 0 328.371 4.822 50 0 EJAARM Cc1ccc(C(=O)C[C@H](SCC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000001896374 564089161 /nfs/dbraw/zinc/08/91/61/564089161.db2.gz UTRLTXVZWADCSN-KRWDZBQOSA-N -1 0 348.851 4.780 50 0 EJAARM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000007057705 564104026 /nfs/dbraw/zinc/10/40/26/564104026.db2.gz ZECATRSVVRXUSA-NSHDSACASA-N -1 0 341.835 4.793 50 0 EJAARM CC(C)OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)[O-] ZINC000000396294 564118866 /nfs/dbraw/zinc/11/88/66/564118866.db2.gz DDOHGXQMISKSCS-UHFFFAOYSA-N -1 0 345.993 4.564 50 0 EJAARM CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)NCC(=O)[O-] ZINC000299817126 564133152 /nfs/dbraw/zinc/13/31/52/564133152.db2.gz DSUOLDCTHRQBTI-LTKCOYKYSA-N -1 0 333.472 4.553 50 0 in-vitro EJAARM Cc1cnc([N-]c2nc3ccc(OC(F)(F)F)cc3s2)s1 ZINC000096231976 564146111 /nfs/dbraw/zinc/14/61/11/564146111.db2.gz LEDHQEQHCRJVER-UHFFFAOYSA-N -1 0 331.344 4.703 50 0 EJAARM O=C([O-])c1cc(/C=C\c2csc(-c3ccco3)n2)nc2ccccc21 ZINC000096401871 564147106 /nfs/dbraw/zinc/14/71/06/564147106.db2.gz LMUKITZVDOAXDN-FPLPWBNLSA-N -1 0 348.383 4.820 50 0 EJAARM O=C([O-])CC1(CC(=O)Nc2ccc3ccccc3c2)CCCCC1 ZINC000003257405 564156700 /nfs/dbraw/zinc/15/67/00/564156700.db2.gz MRFDGPBJIFXZIT-UHFFFAOYSA-N -1 0 325.408 4.594 50 0 EJAARM C[C@H](C(=O)[O-])[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000004024648 564160104 /nfs/dbraw/zinc/16/01/04/564160104.db2.gz NPBNRBWMDNZEBN-DFMSTVSLSA-N -1 0 346.511 4.647 50 0 biogenic,in-vitro EJAARM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc([O-])c(Cl)c2)C2CC2)o1 ZINC000071811819 564175626 /nfs/dbraw/zinc/17/56/26/564175626.db2.gz USWPIBHHGRRSJT-NHYWBVRUSA-N -1 0 345.826 4.567 50 0 EJAARM O=C([O-])c1cc(NN=C2C=CC(=C3C=CC(=O)C=C3)C=C2)ccc1O ZINC000017147795 568423340 /nfs/dbraw/zinc/42/33/40/568423340.db2.gz AUJMZPGZDYABQC-UHFFFAOYSA-N -1 0 334.331 4.878 50 0 EJAARM O=C([O-])c1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1O ZINC000004711777 210256389 /nfs/dbraw/zinc/25/63/89/210256389.db2.gz PEYJUMYTMGPQOK-UHFFFAOYSA-N -1 0 346.795 4.611 50 0 EJAARM O=C([O-])c1cnc2c(cccc2C(F)(F)F)c1Nc1ccccc1 ZINC000004226192 210146752 /nfs/dbraw/zinc/14/67/52/210146752.db2.gz MQZPZFKGNYHYIQ-UHFFFAOYSA-N -1 0 332.281 4.695 50 0 EJAARM O=C([O-])c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl ZINC000011952200 201820238 /nfs/dbraw/zinc/82/02/38/201820238.db2.gz SYHAJCDOIYSQRK-UHFFFAOYSA-N -1 0 331.582 4.924 50 0 EJAARM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(C(F)(F)F)c1 ZINC000040160045 213277470 /nfs/dbraw/zinc/27/74/70/213277470.db2.gz NSSSCEKFRHTZKV-VIFPVBQESA-N -1 0 343.732 4.555 50 0 EJAARM C[C@H]1N(CCCCCC(=O)[O-])c2ccc3ccccc3c2C1(C)C ZINC000038490573 213211043 /nfs/dbraw/zinc/21/10/43/213211043.db2.gz TULVHKHLIGTMSW-OAHLLOKOSA-N -1 0 325.452 4.971 50 0 EJAARM C[C@@H]1N(CCCCCC(=O)[O-])c2ccc3ccccc3c2C1(C)C ZINC000038490575 213210977 /nfs/dbraw/zinc/21/09/77/213210977.db2.gz TULVHKHLIGTMSW-HNNXBMFYSA-N -1 0 325.452 4.971 50 0 EJAARM Cc1ccc2nc(NC(=O)c3cc(-c4cccs4)on3)sc2c1 ZINC000027990556 202163185 /nfs/dbraw/zinc/16/31/85/202163185.db2.gz ULCNNFFCJWMBCN-UHFFFAOYSA-N -1 0 341.417 4.574 50 0 EJAARM CCOc1cccc(/C=C\c2cc(C(=O)[O-])c3ccccc3n2)c1OC ZINC000033530748 212953427 /nfs/dbraw/zinc/95/34/27/212953427.db2.gz FXPJBNYBWUYSNA-QXMHVHEDSA-N -1 0 349.386 4.511 50 0 EJAARM CCOc1ccccc1/C=C1/CCc2c1nc1ccccc1c2C(=O)[O-] ZINC000034793054 202276470 /nfs/dbraw/zinc/27/64/70/202276470.db2.gz JSXWCUNZHYJSTN-SQFISAMPSA-N -1 0 345.398 4.819 50 0 EJAARM Cc1cccc(Oc2ccc(NC(=O)c3ccccc3C(=O)[O-])cc2)c1 ZINC000000277195 209516195 /nfs/dbraw/zinc/51/61/95/209516195.db2.gz CHHYAVQJVHRVPE-UHFFFAOYSA-N -1 0 347.370 4.738 50 0 EJAARM CC[C@H](C)c1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000025206318 212465646 /nfs/dbraw/zinc/46/56/46/212465646.db2.gz UIRARYZNPMYLGD-SCLBCKFNSA-N -1 0 343.398 4.536 50 0 EJAARM Cc1[n-]n2c(nc(-c3ccccc3)c(Cl)c2=O)c1-c1ccccc1 ZINC000008768095 211002950 /nfs/dbraw/zinc/00/29/50/211002950.db2.gz BBOKNLDHPHTRDY-UHFFFAOYSA-N -1 0 335.794 4.731 50 0 EJAARM CCCCn1c(=O)c2c(-c3ccc(F)cc3)csc2[n-]c1=S ZINC000005869505 210551406 /nfs/dbraw/zinc/55/14/06/210551406.db2.gz GVLWOAFVSNPODJ-UHFFFAOYSA-N -1 0 334.441 4.727 50 0 EJAARM COc1ccc(Cl)cc1NC(=S)[N-]c1ccccc1SC ZINC000000610097 563353459 /nfs/dbraw/zinc/35/34/59/563353459.db2.gz JIJMEXNRWPTNDH-UHFFFAOYSA-N -1 0 338.885 4.879 50 0 EJAARM O=S(=O)([N-]c1ccccc1Sc1ccccc1)c1cccs1 ZINC000000610587 563353708 /nfs/dbraw/zinc/35/37/08/563353708.db2.gz VYOJZYJZXULQBS-UHFFFAOYSA-N -1 0 347.486 4.700 50 0 EJAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1c(C)cc(C)cc1C ZINC000000618893 563360634 /nfs/dbraw/zinc/36/06/34/563360634.db2.gz ABMMVTDFCZOPKL-UHFFFAOYSA-N -1 0 347.480 4.545 50 0 EJAARM O=C([O-])c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2Cl)n1 ZINC000001389669 563385653 /nfs/dbraw/zinc/38/56/53/563385653.db2.gz AJFKCJRMHHBFNS-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM CCc1ccc2nc(-c3ccc(OC(C)C)cc3)cc(C(=O)[O-])c2c1 ZINC000002525956 563439045 /nfs/dbraw/zinc/43/90/45/563439045.db2.gz IMINASBSUILLJG-UHFFFAOYSA-N -1 0 335.403 4.950 50 0 EJAARM COc1ccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)cc1 ZINC000002526027 563439050 /nfs/dbraw/zinc/43/90/50/563439050.db2.gz BEFGVWSNEYUJDH-UHFFFAOYSA-N -1 0 327.767 4.570 50 0 EJAARM CC(C)c1ccc(C(=O)C[C@H](C(=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000003107802 563472516 /nfs/dbraw/zinc/47/25/16/563472516.db2.gz PTZCDQVNXDWXFD-KRWDZBQOSA-N -1 0 335.403 4.733 50 0 EJAARM C[C@H](Oc1ccc(Oc2ccc3c(Cl)cccc3n2)cc1)C(=O)[O-] ZINC000005362427 563528395 /nfs/dbraw/zinc/52/83/95/563528395.db2.gz YKERTTAGOBHHCX-NSHDSACASA-N -1 0 343.766 4.532 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 ZINC000005763635 563549460 /nfs/dbraw/zinc/54/94/60/563549460.db2.gz VIPPBETYPPIQQW-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM Cc1cccc2c(C(=O)[O-])cc(-c3cccc(OCC(C)C)c3)nc12 ZINC000006318520 563564853 /nfs/dbraw/zinc/56/48/53/563564853.db2.gz JPYHOZHIYSTSBE-UHFFFAOYSA-N -1 0 335.403 4.943 50 0 EJAARM Cc1ccc(C(C)C)c(OCCn2cc(C(=O)[O-])c3ccccc32)c1 ZINC000006721556 563582710 /nfs/dbraw/zinc/58/27/10/563582710.db2.gz PLGGALOMMWXBQO-UHFFFAOYSA-N -1 0 337.419 4.850 50 0 EJAARM O=C([O-])c1sccc1Oc1ccc(NC(=O)c2cccs2)cc1 ZINC000012958590 563678925 /nfs/dbraw/zinc/67/89/25/563678925.db2.gz LUJHABKJJVFWJJ-UHFFFAOYSA-N -1 0 345.401 4.552 50 0 EJAARM COc1ccccc1Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000013124863 563689217 /nfs/dbraw/zinc/68/92/17/563689217.db2.gz XXDWHCBZRZWMFZ-UHFFFAOYSA-N -1 0 343.386 4.755 50 0 EJAARM O=C([O-])c1sc2c(c1-c1ccccc1)NC(=O)C[C@H]2c1ccccc1 ZINC000015082122 563777207 /nfs/dbraw/zinc/77/72/07/563777207.db2.gz LMCATMMZRMMYFV-AWEZNQCLSA-N -1 0 349.411 4.587 50 0 EJAARM Cc1sc2[n-]c(=S)n([C@H]3C[C@H]3Cc3ccccc3)c(=O)c2c1C ZINC000017071600 563834578 /nfs/dbraw/zinc/83/45/78/563834578.db2.gz NSQDUKTXVNCURY-KGLIPLIRSA-N -1 0 342.489 4.541 50 0 EJAARM Cc1sc2[n-]c(=S)n([C@@H]3C[C@@H]3Cc3ccccc3)c(=O)c2c1C ZINC000017071597 563834595 /nfs/dbraw/zinc/83/45/95/563834595.db2.gz NSQDUKTXVNCURY-UONOGXRCSA-N -1 0 342.489 4.541 50 0 EJAARM COc1ccc(Nc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000018085409 563848228 /nfs/dbraw/zinc/84/82/28/563848228.db2.gz ASTLZMIIVJHCMV-UHFFFAOYSA-N -1 0 343.386 4.755 50 0 EJAARM O=C([O-])c1csc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000011862348 563995212 /nfs/dbraw/zinc/99/52/12/563995212.db2.gz VLONBJXZPSYHFQ-UHFFFAOYSA-N -1 0 331.780 4.954 50 0 EJAARM Cc1ccccc1S(=O)(=O)[N-]c1ccccc1Oc1ccccc1 ZINC000000383763 564012417 /nfs/dbraw/zinc/01/24/17/564012417.db2.gz QICZNQYPTLUDKU-UHFFFAOYSA-N -1 0 339.416 4.588 50 0 EJAARM O=C([O-])c1ccccc1C(=O)c1sc(Cl)c(Cl)c1Cl ZINC000000495497 564017946 /nfs/dbraw/zinc/01/79/46/564017946.db2.gz LMUZDDUDVUCJON-UHFFFAOYSA-N -1 0 335.595 4.638 50 0 EJAARM [O-]c1ccccc1-c1nc2ccccc2c(Oc2ccccc2F)n1 ZINC000000540978 564022475 /nfs/dbraw/zinc/02/24/75/564022475.db2.gz FQZOPDIMOBAZHU-UHFFFAOYSA-N -1 0 332.334 4.934 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Cl)s2)nc2cc(F)c(F)cc21 ZINC000125690436 564051423 /nfs/dbraw/zinc/05/14/23/564051423.db2.gz IPIIXKYPTDJTFL-UHFFFAOYSA-N -1 0 325.723 4.593 50 0 EJAARM CC[C@H](C)c1ccc(-c2csc(NC(=O)CCCC(=O)[O-])n2)cc1 ZINC000001000883 564053965 /nfs/dbraw/zinc/05/39/65/564053965.db2.gz AGILXBJREXFFKQ-LBPRGKRZSA-N -1 0 346.452 4.517 50 0 EJAARM COc1ccc(COc2ccc([C@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000043190932 564076176 /nfs/dbraw/zinc/07/61/76/564076176.db2.gz DETVUMCTRQOZIW-GFCCVEGCSA-N -1 0 334.799 4.506 50 0 EJAARM Cc1ccc(N[C@H](c2ccc(C(C)C)cc2)[P@@](=O)([O-])O)cc1F ZINC000012947534 564079760 /nfs/dbraw/zinc/07/97/60/564079760.db2.gz QSVQBTGIFVSMHU-KRWDZBQOSA-N -1 0 337.331 4.546 50 0 EJAARM O=C([O-])C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1 ZINC000040449056 564084921 /nfs/dbraw/zinc/08/49/21/564084921.db2.gz XVSWUWHVZHBAFF-UHFFFAOYSA-N -1 0 348.242 4.941 50 0 EJAARM Cc1ccc(-c2[nH]nc3nc(-c4cccc(C)c4)cc(C(=O)[O-])c32)cc1 ZINC000006748970 564097041 /nfs/dbraw/zinc/09/70/41/564097041.db2.gz MMMSEVNXLKTWPB-UHFFFAOYSA-N -1 0 343.386 4.607 50 0 EJAARM CN(c1nc(-c2ccccc2[O-])nc2ccccc21)C1CCCCC1 ZINC000002394928 564134477 /nfs/dbraw/zinc/13/44/77/564134477.db2.gz DULCULVGDZWBJI-UHFFFAOYSA-N -1 0 333.435 4.771 50 0 EJAARM COc1ccc2nc([N-]c3nc4c(cccc4OC)s3)sc2c1 ZINC000004121601 564160777 /nfs/dbraw/zinc/16/07/77/564160777.db2.gz MINJMLDYZZPBEZ-UHFFFAOYSA-N -1 0 343.433 4.667 50 0 EJAARM Cc1ccc(Nc2nc(-c3ccc(F)cc3)c(CC(=O)[O-])s2)cc1 ZINC000004706686 210255448 /nfs/dbraw/zinc/25/54/48/210255448.db2.gz VBQCYXNJHYCZRH-UHFFFAOYSA-N -1 0 342.395 4.628 50 0 EJAARM CC(C)[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1Cl ZINC000061718242 214673783 /nfs/dbraw/zinc/67/37/83/214673783.db2.gz FJGBYACUUULRIP-SNVBAGLBSA-N -1 0 349.839 4.849 50 0 EJAARM CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000004545354 210219811 /nfs/dbraw/zinc/21/98/11/210219811.db2.gz JEFMWXPMMQCTMJ-KEXZDQNZSA-N -1 0 346.235 4.534 50 0 EJAARM O=C([O-])CCS[C@@H](CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000004321784 210170665 /nfs/dbraw/zinc/17/06/65/210170665.db2.gz UKQMJMJZZPAHRU-KRWDZBQOSA-N -1 0 348.851 4.862 50 0 EJAARM Fc1ccc2nc([N-]c3nc4cc5c(cc4s3)OCO5)sc2c1 ZINC000004137817 210129023 /nfs/dbraw/zinc/12/90/23/210129023.db2.gz IMIGGQYIQJBUQY-UHFFFAOYSA-N -1 0 345.380 4.517 50 0 aggregator EJAARM COc1cccc2sc([N-]c3nc4c(s3)C[C@@H](C)CC4)nc21 ZINC000004121609 210126474 /nfs/dbraw/zinc/12/64/74/210126474.db2.gz BWWANEKEBKYIPD-VIFPVBQESA-N -1 0 331.466 4.630 50 0 EJAARM COc1cccc2sc([N-]c3nc4c(cccc4OC)s3)nc21 ZINC000004121602 210126049 /nfs/dbraw/zinc/12/60/49/210126049.db2.gz VECNFWHOVUBSAC-UHFFFAOYSA-N -1 0 343.433 4.667 50 0 EJAARM O=C1NC(=O)C(=Cc2ccccc2Oc2ccc(Cl)c(F)c2)S1 ZINC000004050230 210107429 /nfs/dbraw/zinc/10/74/29/210107429.db2.gz HECIPPVIVJEVMK-AUWJEWJLSA-N -1 0 349.770 4.595 50 0 EJAARM O=C([O-])[C@H]1[C@H](C(=O)c2ccccc2)[C@@H]2CCCCC2=C2CCCC[C@H]21 ZINC000104327689 219374290 /nfs/dbraw/zinc/37/42/90/219374290.db2.gz DKWBQLNOCXTUPX-UAFMIMERSA-N -1 0 338.447 4.877 50 0 EJAARM O=C([O-])CC/C(=C\c1cc(F)ccc1F)c1nc2ccccc2s1 ZINC000040139643 213270687 /nfs/dbraw/zinc/27/06/87/213270687.db2.gz FNOWFDGNDJJWES-PKNBQFBNSA-N -1 0 345.370 4.980 50 0 EJAARM Cc1ccc(-c2csc(NC(=O)c3ccco3)c2C(=O)[O-])c(C)c1 ZINC000071405332 202349251 /nfs/dbraw/zinc/34/92/51/202349251.db2.gz QLLQNALFWRXQET-UHFFFAOYSA-N -1 0 341.388 4.575 50 0 EJAARM COc1ccc(-c2nc(Nc3ccc(C(=O)[O-])cc3)sc2C)cc1 ZINC000000274505 209514247 /nfs/dbraw/zinc/51/42/47/209514247.db2.gz QWLOALQVWNXERY-UHFFFAOYSA-N -1 0 340.404 4.569 50 0 EJAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(/C=C/c2ccccc2)cc1 ZINC000000045151 209388180 /nfs/dbraw/zinc/38/81/80/209388180.db2.gz OJNMIJHBSNQYFG-ZHACJKMWSA-N -1 0 343.382 4.808 50 0 EJAARM Cc1ccc(C(=O)C[C@@H](SCc2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000000044317 209386973 /nfs/dbraw/zinc/38/69/73/209386973.db2.gz LLBPSKRWWMYWGF-QGZVFWFLSA-N -1 0 348.851 4.608 50 0 EJAARM O=C([O-])Cc1sc(-c2cccc(Cl)c2)nc1-c1ccccc1 ZINC000019772758 212064904 /nfs/dbraw/zinc/06/49/04/212064904.db2.gz MDFIBZTUSPQTNM-UHFFFAOYSA-N -1 0 329.808 4.758 50 0 EJAARM Fc1cccc2sc([N-]c3nnc(-c4ccc(Cl)cc4)o3)nc21 ZINC000004137697 205691185 /nfs/dbraw/zinc/69/11/85/205691185.db2.gz DYXRYFYEZUAHFN-UHFFFAOYSA-N -1 0 346.774 4.882 50 0 EJAARM Cc1cccc(-c2cc(C(=O)[O-])c3cc(Br)ccc3n2)c1 ZINC000000372097 206236007 /nfs/dbraw/zinc/23/60/07/206236007.db2.gz DUIWCFAFCACSDV-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM O=C([O-])CC/C(=C/c1cccc(F)c1)c1nc2ccccc2s1 ZINC000089874958 217868337 /nfs/dbraw/zinc/86/83/37/217868337.db2.gz YNZQJZGHPGBXDI-RAXLEYEMSA-N -1 0 327.380 4.841 50 0 EJAARM O=C([O-])c1ccc(Cl)c(NC(=O)c2cc3cc(F)ccc3s2)c1 ZINC000008429626 210953047 /nfs/dbraw/zinc/95/30/47/210953047.db2.gz DYVZWOGMTJJIPX-UHFFFAOYSA-N -1 0 349.770 4.644 50 0 EJAARM O=C([O-])CS/C(=C\c1ccccc1)c1nc2ccccc2s1 ZINC000007911809 210863300 /nfs/dbraw/zinc/86/33/00/210863300.db2.gz QJXZBKUPTUVLPO-GDNBJRDFSA-N -1 0 327.430 4.612 50 0 EJAARM COc1cccc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)c1 ZINC000005131378 210397182 /nfs/dbraw/zinc/39/71/82/210397182.db2.gz FILMMPWPTQTCBB-SDNWHVSQSA-N -1 0 339.416 4.710 50 0 EJAARM C/C=C/c1c(F)c(F)c(Oc2ccc(C(=O)[O-])cc2)c(F)c1F ZINC000004986196 210349334 /nfs/dbraw/zinc/34/93/34/210349334.db2.gz JPLMUUCPIHXJTA-NSCUHMNNSA-N -1 0 326.245 4.767 50 0 EJAARM CC(C)Cc1csc(NC(=O)c2ccccc2Cl)c1C(=O)[O-] ZINC000004825671 210289708 /nfs/dbraw/zinc/28/97/08/210289708.db2.gz UQYREHBUJPNBEK-UHFFFAOYSA-N -1 0 337.828 4.551 50 0 EJAARM CC[C@H](c1ccccc1)[C@H](CC)OC(=O)c1ccccc1C(=O)[O-] ZINC000004795088 210280445 /nfs/dbraw/zinc/28/04/45/210280445.db2.gz NUKCMNUIKWFODJ-QAPCUYQASA-N -1 0 326.392 4.514 50 0 EJAARM O=C([O-])c1cnc(-c2ccccc2)nc1Sc1cccc(Cl)c1 ZINC000001386398 258049044 /nfs/dbraw/zinc/04/90/44/258049044.db2.gz GNIGLSTZDXVIAF-UHFFFAOYSA-N -1 0 342.807 4.646 50 0 EJAARM CC[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000000099402 563225341 /nfs/dbraw/zinc/22/53/41/563225341.db2.gz AWXDXVRABYWFCX-OAHLLOKOSA-N -1 0 338.432 4.699 50 0 EJAARM O=C([O-])c1ccccc1Sc1cc(Cl)nnc1-c1ccccc1 ZINC000000343973 563287312 /nfs/dbraw/zinc/28/73/12/563287312.db2.gz YWDXTCDUQOKBKI-UHFFFAOYSA-N -1 0 342.807 4.646 50 0 EJAARM O=C(Nc1ccc(F)cc1F)c1cc(-c2cccc(Cl)c2)on1 ZINC000000425665 563309831 /nfs/dbraw/zinc/30/98/31/563309831.db2.gz KDWJEXBBCHRSHL-UHFFFAOYSA-N -1 0 334.709 4.526 50 0 EJAARM Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])c1C ZINC000000455052 563323339 /nfs/dbraw/zinc/32/33/39/563323339.db2.gz GWQHPUZNLOQEAU-UHFFFAOYSA-N -1 0 345.398 4.921 50 0 EJAARM O=c1oc2cc([O-])ccc2c(Cc2ccccc2)c1-c1ccccc1 ZINC000001081532 563374245 /nfs/dbraw/zinc/37/42/45/563374245.db2.gz UDGDPGYTQSJHSS-UHFFFAOYSA-N -1 0 328.367 4.756 50 0 biogenic,in-vitro EJAARM CC[C@H](Sc1ncnc2scc(-c3ccc(C)cc3)c21)C(=O)[O-] ZINC000001935787 563416871 /nfs/dbraw/zinc/41/68/71/563416871.db2.gz CCRGYDQNVWXDNZ-ZDUSSCGKSA-N -1 0 344.461 4.622 50 0 EJAARM CCCCc1ccc(-n2c(Cc3cccs3)n[n-]c2=S)cc1 ZINC000002366835 563430512 /nfs/dbraw/zinc/43/05/12/563430512.db2.gz HWJISTMCCXOCBO-UHFFFAOYSA-N -1 0 329.494 4.925 50 0 EJAARM COc1ccccc1-c1cc(C(=O)[O-])c2ccc(Cl)c(C)c2n1 ZINC000002526031 563439036 /nfs/dbraw/zinc/43/90/36/563439036.db2.gz OOUWSZYSLOCIEU-UHFFFAOYSA-N -1 0 327.767 4.570 50 0 EJAARM Cc1c(Cl)cccc1NCc1n[n-]c(=S)n1-c1ccccc1 ZINC000002544695 563440275 /nfs/dbraw/zinc/44/02/75/563440275.db2.gz NTAMWTGWQVIDPR-UHFFFAOYSA-N -1 0 330.844 4.504 50 0 EJAARM O=C([O-])c1ccc(Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O ZINC000002859320 563456708 /nfs/dbraw/zinc/45/67/08/563456708.db2.gz NSPLXNBEHSXYHJ-UHFFFAOYSA-N -1 0 346.795 4.611 50 0 EJAARM C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000005211621 563523007 /nfs/dbraw/zinc/52/30/07/563523007.db2.gz OOLBCHYXZDXLDS-SECBINFHSA-N -1 0 327.163 4.638 50 0 in-vivo EJAARM Cc1cccc2c(C(=O)[O-])cc(-c3ccccc3Br)nc12 ZINC000002754933 563612403 /nfs/dbraw/zinc/61/24/03/563612403.db2.gz DXQJENHFYDFKHT-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM Cc1cc(C)c(NC(=O)CC2(C(=O)[O-])CCCCCC2)c(Cl)c1 ZINC000013467037 563698911 /nfs/dbraw/zinc/69/89/11/563698911.db2.gz SOOCZXXUNCJUAU-UHFFFAOYSA-N -1 0 337.847 4.711 50 0 EJAARM CC[C@@H](C)c1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC000025206313 563882392 /nfs/dbraw/zinc/88/23/92/563882392.db2.gz UIRARYZNPMYLGD-FZKQIMNGSA-N -1 0 343.398 4.536 50 0 EJAARM COc1cc(C(=O)[O-])ccc1-c1ccc(OCc2ccccc2)cc1 ZINC000065355226 563958144 /nfs/dbraw/zinc/95/81/44/563958144.db2.gz FKTBVOMMEBCLCC-UHFFFAOYSA-N -1 0 334.371 4.639 50 0 EJAARM COc1cc(-c2ccc(OCc3ccccc3)cc2)ccc1C(=O)[O-] ZINC000065355230 563958155 /nfs/dbraw/zinc/95/81/55/563958155.db2.gz HRSVGPNLAGDBJM-UHFFFAOYSA-N -1 0 334.371 4.639 50 0 EJAARM Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1 ZINC000013948784 563966485 /nfs/dbraw/zinc/96/64/85/563966485.db2.gz XEUGQYPFTNMFSC-UHFFFAOYSA-N -1 0 337.444 4.771 50 0 EJAARM Cc1cccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)[O-])c1 ZINC000000348433 563991467 /nfs/dbraw/zinc/99/14/67/563991467.db2.gz FNQXPIAFGXVYBW-UHFFFAOYSA-N -1 0 337.400 4.674 50 0 EJAARM FC(F)(F)c1cccc(NC(=S)Nc2ccccc2[S-])c1 ZINC000005581574 564005911 /nfs/dbraw/zinc/00/59/11/564005911.db2.gz AYFXLOXAPCWPTL-UHFFFAOYSA-N -1 0 328.384 4.803 50 0 EJAARM COc1cccc(-c2nc3ccccc3c(NC3CCCCC3)n2)c1[O-] ZINC000000520359 564020973 /nfs/dbraw/zinc/02/09/73/564020973.db2.gz ONBZEFAZUBCTIT-UHFFFAOYSA-N -1 0 349.434 4.756 50 0 EJAARM O=C([O-])c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1 ZINC000044199265 564031754 /nfs/dbraw/zinc/03/17/54/564031754.db2.gz OQWHCUAJBRTSEZ-UHFFFAOYSA-N -1 0 333.718 4.603 50 0 EJAARM O=C([O-])CCc1c2cc(Br)ccc2[nH]c1-c1ccccc1 ZINC000585139460 564052678 /nfs/dbraw/zinc/05/26/78/564052678.db2.gz DBFIBQJJZBJHFJ-UHFFFAOYSA-N -1 0 344.208 4.615 50 0 EJAARM Cc1ccsc1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000012601088 564060408 /nfs/dbraw/zinc/06/04/08/564060408.db2.gz OZQZCLJAUOIKMG-UHFFFAOYSA-N -1 0 343.429 4.736 50 0 EJAARM CCOc1ccc(/C(=C/c2ccc(Cl)cc2)C(=O)[O-])cc1OCC ZINC000001311795 564063129 /nfs/dbraw/zinc/06/31/29/564063129.db2.gz NDQCLCLFLWQTJI-WJDWOHSUSA-N -1 0 346.810 4.763 50 0 EJAARM Oc1ccc(Br)cc1/C=C\c1ccc2ccccc2n1 ZINC000083327760 564063152 /nfs/dbraw/zinc/06/31/52/564063152.db2.gz NDJYIQKCWCPIPP-TWGQIWQCSA-N -1 0 326.193 4.873 50 0 EJAARM C[C@@H](Oc1ccccc1C(=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000000409728 564118887 /nfs/dbraw/zinc/11/88/87/564118887.db2.gz NUCPTBPYDMFSQW-MRXNPFEDSA-N -1 0 332.399 4.984 50 0 EJAARM CCCCCC(=O)Nc1scc(-c2ccc(C)cc2)c1C(=O)[O-] ZINC000002279485 564125637 /nfs/dbraw/zinc/12/56/37/564125637.db2.gz KVXQIQAEHOWMDU-UHFFFAOYSA-N -1 0 331.437 4.941 50 0 EJAARM Cc1nsc(NC(=O)c2sc3cccc(Cl)c3c2Cl)n1 ZINC000027756411 564134380 /nfs/dbraw/zinc/13/43/80/564134380.db2.gz HDODRNSZHYUIMR-UHFFFAOYSA-N -1 0 344.248 4.620 50 0 EJAARM C[C@@H]1CCCC[C@@H]1Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000002409188 564134635 /nfs/dbraw/zinc/13/46/35/564134635.db2.gz PSINKMOSZHXTLD-PBHICJAKSA-N -1 0 333.435 4.993 50 0 EJAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccccc1OC1CCC1 ZINC000079112042 564137940 /nfs/dbraw/zinc/13/79/40/564137940.db2.gz CPABIZQAAMCUEU-UHFFFAOYSA-N -1 0 340.404 4.674 50 0 EJAARM CC(=O)c1ccc([O-])c(NC(=O)c2sccc2-c2ccccc2)c1 ZINC000095992930 564144195 /nfs/dbraw/zinc/14/41/95/564144195.db2.gz PZCTVRXBXAVJHZ-UHFFFAOYSA-N -1 0 337.400 4.576 50 0 EJAARM O=C(Nc1ccccc1)[C@H]([N-]c1nc2ccccc2o1)c1ccccc1 ZINC000054389251 214235982 /nfs/dbraw/zinc/23/59/82/214235982.db2.gz OUBSQMSEZQNEAP-LJQANCHMSA-N -1 0 343.386 4.620 50 0 EJAARM CSc1cccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000004618330 210231569 /nfs/dbraw/zinc/23/15/69/210231569.db2.gz BWLHYNKPZZNCPT-UHFFFAOYSA-N -1 0 348.276 4.516 50 0 EJAARM O=c1c(Sc2ccccc2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000101075641 219115072 /nfs/dbraw/zinc/11/50/72/219115072.db2.gz HCYXEOUPPZXLBN-UHFFFAOYSA-N -1 0 336.338 4.748 50 0 EJAARM Fc1ccc2nc([N-]c3nnc(-c4ccc(Cl)cc4)o3)sc2c1 ZINC000004137798 210128967 /nfs/dbraw/zinc/12/89/67/210128967.db2.gz WRZIZVDDGBZXEZ-UHFFFAOYSA-N -1 0 346.774 4.882 50 0 EJAARM Cc1sc(NC(=O)c2ccccc2)c(C(=O)[O-])c1-c1ccccc1 ZINC000003141005 209969120 /nfs/dbraw/zinc/96/91/20/209969120.db2.gz PWMOTALJMIIQED-UHFFFAOYSA-N -1 0 337.400 4.674 50 0 EJAARM Cc1c(Cl)ccc2c(=O)c(Br)c(C(F)(F)F)[n-]c12 ZINC000038537382 213213835 /nfs/dbraw/zinc/21/38/35/213213835.db2.gz KJOQBQROKJUOMH-UHFFFAOYSA-N -1 0 340.526 4.684 50 0 EJAARM CCOc1ccc2ccccc2c1CNc1cc(C(=O)[O-])ccc1C ZINC000020881269 202057058 /nfs/dbraw/zinc/05/70/58/202057058.db2.gz ZJUGRACPUQHTEB-UHFFFAOYSA-N -1 0 335.403 4.857 50 0 EJAARM O=c1c2ccccc2[n-]c(=S)n1C1CCC(c2ccccc2)CC1 ZINC000027223445 202152431 /nfs/dbraw/zinc/15/24/31/202152431.db2.gz FLVSIYKSBIRSKW-UHFFFAOYSA-N -1 0 336.460 4.958 50 0 EJAARM O=C([O-])c1c(NC(=O)c2ccccc2Cl)sc2c1CCCCC2 ZINC000000227526 209497127 /nfs/dbraw/zinc/49/71/27/209497127.db2.gz NIWLUIYEFZWWQH-UHFFFAOYSA-N -1 0 349.839 4.621 50 0 EJAARM CCCc1cc2c(cc1[O-])occ(-c1nc3ccccc3s1)c2=O ZINC000005904275 201361170 /nfs/dbraw/zinc/36/11/70/201361170.db2.gz XUODZRDJDWJEAI-UHFFFAOYSA-N -1 0 337.400 4.728 50 0 biogenic EJAARM O=C([O-])c1cccc2c1N[C@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000022115696 212278111 /nfs/dbraw/zinc/27/81/11/212278111.db2.gz CGCADNMILNKOBY-RBUKOAKNSA-N -1 0 330.387 4.705 50 0 EJAARM O=C([O-])c1cc(Nc2ccc(OC(F)(F)F)cc2)nc2ccccc21 ZINC000021715202 212242158 /nfs/dbraw/zinc/24/21/58/212242158.db2.gz IJAOIPSHPGDYFC-UHFFFAOYSA-N -1 0 348.280 4.575 50 0 EJAARM CC[C@@H](Sc1ncnc2scc(-c3ccc(C)cc3)c21)C(=O)[O-] ZINC000001935788 201523295 /nfs/dbraw/zinc/52/32/95/201523295.db2.gz CCRGYDQNVWXDNZ-CYBMUJFWSA-N -1 0 344.461 4.622 50 0 EJAARM Cc1nc2ccc(Cl)cc2c(-c2ccccc2F)c1CC(=O)[O-] ZINC000002654599 201539962 /nfs/dbraw/zinc/53/99/62/201539962.db2.gz GKNFKVYKWCGDHS-UHFFFAOYSA-N -1 0 329.758 4.630 50 0 EJAARM Cc1ccc(-c2cc(C(=O)[O-])c3cccc(C(F)(F)F)c3n2)cc1 ZINC000003756569 201579786 /nfs/dbraw/zinc/57/97/86/201579786.db2.gz RQOZWFWATJZIBR-UHFFFAOYSA-N -1 0 331.293 4.927 50 0 EJAARM CCCc1nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c(=O)c1Cl ZINC000018222805 211991716 /nfs/dbraw/zinc/99/17/16/211991716.db2.gz YEGGRTILEPYZID-UHFFFAOYSA-N -1 0 336.222 4.670 50 0 EJAARM Cc1ccc(-c2nc(Nc3ccccc3C)sc2CC(=O)[O-])cc1 ZINC000002078260 205610270 /nfs/dbraw/zinc/61/02/70/205610270.db2.gz UCVHFHRLQCYMLJ-UHFFFAOYSA-N -1 0 338.432 4.798 50 0 EJAARM O=C([O-])c1sccc1Oc1ccccc1NC(=O)c1cccs1 ZINC000012959265 211492792 /nfs/dbraw/zinc/49/27/92/211492792.db2.gz FBLQJJRYYZAWPN-UHFFFAOYSA-N -1 0 345.401 4.552 50 0 EJAARM Cc1ccsc1/C=C(\SCC(=O)[O-])c1nc2ccccc2s1 ZINC000009690294 211114438 /nfs/dbraw/zinc/11/44/38/211114438.db2.gz AOPQATBMXHPJQG-ZSOIEALJSA-N -1 0 347.486 4.982 50 0 EJAARM CC(C)(C)C1CCC(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)CC1 ZINC000206806727 534555153 /nfs/dbraw/zinc/55/51/53/534555153.db2.gz DFFXPWOIIFFAMZ-MLPAPPSSSA-N -1 0 329.440 4.575 50 0 EJAARM O=C([O-])c1ccccc1Nc1ccnc2c1cccc2C(F)(F)F ZINC000000006967 563211463 /nfs/dbraw/zinc/21/14/63/563211463.db2.gz RGUIKQRAZCQMBM-UHFFFAOYSA-N -1 0 332.281 4.695 50 0 EJAARM CC[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)[O-] ZINC000000099397 563225279 /nfs/dbraw/zinc/22/52/79/563225279.db2.gz AWXDXVRABYWFCX-HNNXBMFYSA-N -1 0 338.432 4.699 50 0 EJAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NC1CCCCCCCCCCC1 ZINC000000133421 563239440 /nfs/dbraw/zinc/23/94/40/563239440.db2.gz QEEPPGIQINMYNK-ROUUACIJSA-N -1 0 337.504 4.667 50 0 EJAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NC1CCCCCCCCCCC1 ZINC000000133418 563239493 /nfs/dbraw/zinc/23/94/93/563239493.db2.gz QEEPPGIQINMYNK-QZTJIDSGSA-N -1 0 337.504 4.667 50 0 EJAARM CC(C)(c1ccccc1)c1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000000282589 563272202 /nfs/dbraw/zinc/27/22/02/563272202.db2.gz GVVLHKRUHHNBIB-UHFFFAOYSA-N -1 0 336.387 4.883 50 0 EJAARM [O-]c1c(Br)cc(-c2ccccc2)cc1Br ZINC000000405065 563306548 /nfs/dbraw/zinc/30/65/48/563306548.db2.gz SKQRVOXIIAXXEM-UHFFFAOYSA-N -1 0 328.003 4.584 50 0 in-vivo EJAARM CCOc1cccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)c1 ZINC000002526035 563439055 /nfs/dbraw/zinc/43/90/55/563439055.db2.gz FLKIJAGIGMAFCI-UHFFFAOYSA-N -1 0 341.794 4.961 50 0 EJAARM O=C([O-])c1cc(-c2cccc(C(F)(F)F)c2)nc2c(F)cccc12 ZINC000003756786 563487417 /nfs/dbraw/zinc/48/74/17/563487417.db2.gz YFCUZUYVYAQMQM-UHFFFAOYSA-N -1 0 335.256 4.758 50 0 EJAARM Cc1cccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)c1 ZINC000005730717 563547614 /nfs/dbraw/zinc/54/76/14/563547614.db2.gz FTGSJTAYEJIPJK-UHFFFAOYSA-N -1 0 336.265 4.618 50 0 biogenic EJAARM CC(C)Oc1ccc(CCc2n[n-]c(=S)n2-c2ccccc2)cc1 ZINC000006238418 563561934 /nfs/dbraw/zinc/56/19/34/563561934.db2.gz ZCDVCGYZOIYVMR-UHFFFAOYSA-N -1 0 339.464 4.502 50 0 EJAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000008254561 563625125 /nfs/dbraw/zinc/62/51/25/563625125.db2.gz VCTGWMYGKPILGG-UHFFFAOYSA-N -1 0 341.190 4.669 50 0 EJAARM O=c1c2c3c(sc2[n-]c(=S)n1CCC1=CCCCC1)CCCC3 ZINC000017072178 563835680 /nfs/dbraw/zinc/83/56/80/563835680.db2.gz JNNKTRZLDWZCKL-UHFFFAOYSA-N -1 0 346.521 4.890 50 0 EJAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2cccs2)s1 ZINC000024838969 563876580 /nfs/dbraw/zinc/87/65/80/563876580.db2.gz BACBMLUYPORQQI-UHFFFAOYSA-N -1 0 335.475 4.586 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2Cl)nn1-c1ccccc1 ZINC000025762420 563887993 /nfs/dbraw/zinc/88/79/93/563887993.db2.gz GWBLAHGDKRFPEE-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM O=C([O-])c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3)cc21 ZINC000205126451 563931813 /nfs/dbraw/zinc/93/18/13/563931813.db2.gz FHQXLWCFSUSXBF-UHFFFAOYSA-N -1 0 341.794 4.558 50 0 in-vitro EJAARM Cc1cccc([N-]S(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)c1 ZINC000033048495 563935242 /nfs/dbraw/zinc/93/52/42/563935242.db2.gz UHTYWKUBJHILIF-UHFFFAOYSA-N -1 0 344.263 4.719 50 0 EJAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(-c3ccccc3)n2)c1 ZINC000000266149 563989981 /nfs/dbraw/zinc/98/99/81/563989981.db2.gz GCMZWRAHQZBXFN-UHFFFAOYSA-N -1 0 341.370 4.739 50 0 EJAARM CC[C@H](C)c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000000205269 563998027 /nfs/dbraw/zinc/99/80/27/563998027.db2.gz KMDWWRICFITKHP-AWEZNQCLSA-N -1 0 340.448 4.549 50 0 EJAARM Cc1ccc2nc([N-]c3nc(C)cc(-c4ccccc4)n3)nc(C)c2c1 ZINC000000445184 563999637 /nfs/dbraw/zinc/99/96/37/563999637.db2.gz QPXWNFFSMDDZFT-UHFFFAOYSA-N -1 0 341.418 4.756 50 0 EJAARM O=C([O-])[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@H]2[C@@H]1C(=O)c1ccccc1 ZINC000001230312 564061087 /nfs/dbraw/zinc/06/10/87/564061087.db2.gz DKWBQLNOCXTUPX-YSTOQKLRSA-N -1 0 338.447 4.877 50 0 EJAARM [S-]c1ccccc1-c1nc(-c2ccccc2)nn1Cc1ccccc1 ZINC000075261089 564081244 /nfs/dbraw/zinc/08/12/44/564081244.db2.gz RAIWPIMMHYDWPJ-UHFFFAOYSA-N -1 0 343.455 4.949 50 0 EJAARM CC(C)(C)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCCC2)cc1 ZINC000006590104 564092414 /nfs/dbraw/zinc/09/24/14/564092414.db2.gz NFLXHSAENLSXNQ-UHFFFAOYSA-N -1 0 331.456 4.738 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Br)cc2)nc2ccc(F)cc21 ZINC000006883566 564100639 /nfs/dbraw/zinc/10/06/39/564100639.db2.gz CWOODRZOYJHYMP-UHFFFAOYSA-N -1 0 346.155 4.502 50 0 EJAARM Cc1ccc(-c2csc(=Nc3cccc(C(=O)[O-])c3)o2)c(C)c1 ZINC000252670089 564124791 /nfs/dbraw/zinc/12/47/91/564124791.db2.gz JNIGDCCBQFMTMU-UHFFFAOYSA-N -1 0 325.389 4.556 50 0 EJAARM C[C@@H](Oc1ccc(Oc2ccc3cccc(Cl)c3n2)cc1)C(=O)[O-] ZINC000004638560 564128957 /nfs/dbraw/zinc/12/89/57/564128957.db2.gz ZHLLMFXGKOJGLR-LLVKDONJSA-N -1 0 343.766 4.532 50 0 EJAARM Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccc(C)cc2O)CC1 ZINC000058429921 564159112 /nfs/dbraw/zinc/15/91/12/564159112.db2.gz MAFIZSPYUJZEIH-UHFFFAOYSA-N -1 0 348.446 4.510 50 0 EJAARM CC(C)(CC(=O)[O-])CC(=O)NC1CCCCCCCCCCC1 ZINC000004691094 210248808 /nfs/dbraw/zinc/24/88/08/210248808.db2.gz SDDBOKHPIDXNIT-UHFFFAOYSA-N -1 0 325.493 4.667 50 0 EJAARM Cc1ccc(Nc2nc(-c3cccs3)c(CC(=O)[O-])s2)cc1C ZINC000004638532 210234910 /nfs/dbraw/zinc/23/49/10/210234910.db2.gz MEAOXDBFIBIAKH-UHFFFAOYSA-N -1 0 344.461 4.859 50 0 EJAARM CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000004545353 210219020 /nfs/dbraw/zinc/21/90/20/210219020.db2.gz JEFMWXPMMQCTMJ-PKTIUJEHSA-N -1 0 346.235 4.534 50 0 EJAARM Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)[O-])c2c1 ZINC000004227678 210147897 /nfs/dbraw/zinc/14/78/97/210147897.db2.gz NSINEIFLWDUHLP-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM O=C([O-])c1cnc2ccc(Cl)cc2c1Nc1cc(Cl)ccc1O ZINC000004226238 210147299 /nfs/dbraw/zinc/14/72/99/210147299.db2.gz SQACGBKJRFEMDZ-UHFFFAOYSA-N -1 0 349.173 4.689 50 0 EJAARM COc1ccc2nc([N-]c3nc4c(cc(F)cc4F)s3)sc2c1 ZINC000004137761 210128836 /nfs/dbraw/zinc/12/88/36/210128836.db2.gz MYHJYEOJTCTTIA-UHFFFAOYSA-N -1 0 349.387 4.936 50 0 EJAARM COc1cccc2sc([N-]c3nc(-c4cccnc4)cs3)nc21 ZINC000004061280 210110692 /nfs/dbraw/zinc/11/06/92/210110692.db2.gz LNDRUXJTIYBBFL-UHFFFAOYSA-N -1 0 340.433 4.567 50 0 EJAARM CCCCCCc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000003122160 209966690 /nfs/dbraw/zinc/96/66/90/209966690.db2.gz FKAZACXXFMQQFZ-UHFFFAOYSA-N -1 0 325.408 4.760 50 0 EJAARM O=C([O-])c1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000002845719 209926993 /nfs/dbraw/zinc/92/69/93/209926993.db2.gz CRPIHAKAFFJNTM-UHFFFAOYSA-N -1 0 344.581 4.597 50 0 EJAARM Cc1cc(C)nc([N-]c2nc3ccc(F)cc3c(-c3ccccc3)n2)n1 ZINC000016624835 201976813 /nfs/dbraw/zinc/97/68/13/201976813.db2.gz DCIXNGXXGGZTBU-UHFFFAOYSA-N -1 0 345.381 4.586 50 0 EJAARM COc1cccc2cc(/C=C\c3cc(C(=O)[O-])c4ccccc4n3)oc21 ZINC000035681439 202308403 /nfs/dbraw/zinc/30/84/03/202308403.db2.gz IEPJLDZSGVPCDJ-KTKRTIGZSA-N -1 0 345.354 4.858 50 0 EJAARM O=C([O-])C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2o1 ZINC000021759663 212247361 /nfs/dbraw/zinc/24/73/61/212247361.db2.gz MFZSACFOOXAQTO-XFXZXTDPSA-N -1 0 347.292 4.862 50 0 EJAARM CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C(=O)[O-])=C[C@@H]21 ZINC000005821086 201664012 /nfs/dbraw/zinc/66/40/12/201664012.db2.gz YOVRGSHRZRJTLZ-CVEARBPZSA-N -1 0 344.451 4.801 50 0 EJAARM CCc1ccc(-c2[nH]nc3nc(-c4ccccc4)cc(C(=O)[O-])c32)cc1 ZINC000020492347 212139479 /nfs/dbraw/zinc/13/94/79/212139479.db2.gz FBJBQCOJEGKRHW-UHFFFAOYSA-N -1 0 343.386 4.553 50 0 EJAARM O=C([O-])Cc1csc(-c2ccc(Oc3ccc(Cl)cc3)cc2)n1 ZINC000011961807 211276240 /nfs/dbraw/zinc/27/62/40/211276240.db2.gz QYGZPIIKYHNMPF-UHFFFAOYSA-N -1 0 345.807 4.883 50 0 EJAARM O=C([O-])CS/C(=C\c1cccs1)c1nc2ccccc2s1 ZINC000007911808 210862746 /nfs/dbraw/zinc/86/27/46/210862746.db2.gz BDDQTSYVZQEPAX-JYRVWZFOSA-N -1 0 333.459 4.674 50 0 EJAARM CC(C)(C)C1CCC(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC000012775511 207245648 /nfs/dbraw/zinc/24/56/48/207245648.db2.gz DFFXPWOIIFFAMZ-AWNIVKPZSA-N -1 0 329.440 4.575 50 0 EJAARM COc1cccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])c1 ZINC000096766294 218890021 /nfs/dbraw/zinc/89/00/21/218890021.db2.gz IVZHQAVYWKSRKO-QINSGFPZSA-N -1 0 345.398 4.819 50 0 EJAARM C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)C(=O)[O-] ZINC000005211276 210413345 /nfs/dbraw/zinc/41/33/45/210413345.db2.gz OOLBCHYXZDXLDS-VIFPVBQESA-N -1 0 327.163 4.638 50 0 in-vitro EJAARM CCOc1ccccc1/C=C(\CC(=O)[O-])c1nc2ccccc2s1 ZINC000005131007 210397357 /nfs/dbraw/zinc/39/73/57/210397357.db2.gz XAKINQRSJBBLIE-SDNWHVSQSA-N -1 0 339.416 4.710 50 0 EJAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1c1ccccc1 ZINC000004800609 210280010 /nfs/dbraw/zinc/28/00/10/210280010.db2.gz GZFUVVNXJDDLBT-SAZYNNDCSA-N -1 0 326.395 4.762 50 0 EJAARM Cc1cnc2c(c1)nc(C1CCCCC1)n2Cc1ccc(C(=O)[O-])cc1 ZINC000036324987 526168319 /nfs/dbraw/zinc/16/83/19/526168319.db2.gz YFAWXXBLVPFIFK-UHFFFAOYSA-N -1 0 349.434 4.534 50 0 EJAARM COC(=O)c1ccccc1[N-]C(=S)Sc1ccc(Cl)cc1 ZINC000000075411 563216821 /nfs/dbraw/zinc/21/68/21/563216821.db2.gz BJWBCPHMWSTSBQ-UHFFFAOYSA-N -1 0 337.853 4.616 50 0 EJAARM [O-]c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1 ZINC000000193771 563257348 /nfs/dbraw/zinc/25/73/48/563257348.db2.gz FRSMLANYBOTORN-UHFFFAOYSA-N -1 0 325.371 4.578 50 0 EJAARM Cc1ccc(-c2nc(Nc3ccc(F)cc3)sc2CC(=O)[O-])cc1 ZINC000000253252 563266827 /nfs/dbraw/zinc/26/68/27/563266827.db2.gz YFYQAOBVHCSVDP-UHFFFAOYSA-N -1 0 342.395 4.628 50 0 EJAARM Cc1ccc2c(C)nc([N-]c3nc(C)cc(-c4ccccc4)n3)nc2c1 ZINC000000445579 563317111 /nfs/dbraw/zinc/31/71/11/563317111.db2.gz ZXUCJVKVIHOLFR-UHFFFAOYSA-N -1 0 341.418 4.756 50 0 EJAARM O=C([O-])c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 ZINC000001386391 563385064 /nfs/dbraw/zinc/38/50/64/563385064.db2.gz XCLVRQWGIVGGDE-UHFFFAOYSA-N -1 0 342.807 4.646 50 0 EJAARM CCOc1cccc(-c2cc(C(=O)[O-])c3cccc(Cl)c3n2)c1 ZINC000002526034 563439046 /nfs/dbraw/zinc/43/90/46/563439046.db2.gz PFAGEXLXCWDYDH-UHFFFAOYSA-N -1 0 327.767 4.652 50 0 EJAARM O=C([O-])c1cc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2)n1 ZINC000005671220 563544846 /nfs/dbraw/zinc/54/48/46/563544846.db2.gz IBEFCIYOSYCESW-UHFFFAOYSA-N -1 0 333.174 4.544 50 0 EJAARM Cc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc12 ZINC000005730083 563547724 /nfs/dbraw/zinc/54/77/24/563547724.db2.gz VRIUQPPDWBIGEB-UHFFFAOYSA-N -1 0 338.256 4.632 50 0 EJAARM O=c1c(Oc2ccc(-c3ccccc3)cc2)coc2cc([O-])ccc12 ZINC000005999747 563556961 /nfs/dbraw/zinc/55/69/61/563556961.db2.gz AZNMOOFYRUZYCH-UHFFFAOYSA-N -1 0 330.339 4.958 50 0 EJAARM Cc1cccc(-n2nc(-c3ccc(CC(C)C)cc3)cc2C(=O)[O-])c1 ZINC000006234455 563562028 /nfs/dbraw/zinc/56/20/28/563562028.db2.gz ALUGTCXJNJVUKH-UHFFFAOYSA-N -1 0 334.419 4.744 50 0 EJAARM O=C([O-])c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccccc21 ZINC000004387652 563678563 /nfs/dbraw/zinc/67/85/63/563678563.db2.gz QYZZZRUVRPCHIL-UHFFFAOYSA-N -1 0 333.318 4.999 50 0 EJAARM CSc1ccc(-c2cc(C(=O)[O-])n(-c3ccc(Cl)cc3)n2)cc1 ZINC000015441913 563784693 /nfs/dbraw/zinc/78/46/93/563784693.db2.gz OTCYPZWTFRNAHU-UHFFFAOYSA-N -1 0 344.823 4.613 50 0 EJAARM [O-]c1ccccc1-c1nc2ccccc2c(Nc2ccc(F)cc2)n1 ZINC000017145658 563838464 /nfs/dbraw/zinc/83/84/64/563838464.db2.gz IOPVSXRZXHNXBT-UHFFFAOYSA-N -1 0 331.350 4.885 50 0 EJAARM COc1ccc(C(c2ccc(OC)cc2)c2ccccc2C(=O)[O-])cc1 ZINC000005699204 563863427 /nfs/dbraw/zinc/86/34/27/563863427.db2.gz HOTOZRAJHUEOJK-UHFFFAOYSA-N -1 0 348.398 4.582 50 0 EJAARM O=C([O-])[C@@H]1[C@@H]2CCCCC2=C2CCCC[C@@H]2[C@@H]1C(=O)c1ccccc1 ZINC000013544215 563929847 /nfs/dbraw/zinc/92/98/47/563929847.db2.gz DKWBQLNOCXTUPX-ZGXWSNOMSA-N -1 0 338.447 4.877 50 0 EJAARM CCCC1CCC(c2ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc2)CC1 ZINC000000248475 563989459 /nfs/dbraw/zinc/98/94/59/563989459.db2.gz SKMKUWKJBZSEJH-RJYAGPCLSA-N -1 0 345.483 4.600 50 0 EJAARM O=c1nc(CSC2CCCC2)[nH]c2scc(-c3ccccc3)c21 ZINC000005175207 563999977 /nfs/dbraw/zinc/99/99/77/563999977.db2.gz JUGKOCHLYWODGJ-UHFFFAOYSA-N -1 0 342.489 4.827 50 0 EJAARM CC(C)C[C@@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000061719144 564000422 /nfs/dbraw/zinc/00/04/22/564000422.db2.gz WMVMNSNBKZSDLC-GFCCVEGCSA-N -1 0 329.421 4.585 50 0 EJAARM O=S(=O)([N-]c1cccc2ccccc21)c1cccc2ccccc21 ZINC000000345648 564012396 /nfs/dbraw/zinc/01/23/96/564012396.db2.gz UOBPZRTXRJMRLU-UHFFFAOYSA-N -1 0 333.412 4.794 50 0 EJAARM COc1ccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)cc1 ZINC000000533310 564021968 /nfs/dbraw/zinc/02/19/68/564021968.db2.gz BEUPWNJMJNPUNA-UHFFFAOYSA-N -1 0 344.370 4.803 50 0 EJAARM O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1[S-] ZINC000000536148 564022154 /nfs/dbraw/zinc/02/21/54/564022154.db2.gz OPXKUOLMWWCFTH-FQEVSTJZSA-N -1 0 348.423 4.756 50 0 EJAARM Oc1ccc(/C=C\c2ccc3cccc(O)c3n2)cc1Br ZINC000083326616 564063133 /nfs/dbraw/zinc/06/31/33/564063133.db2.gz LYRHKHXPDLTBIP-DAXSKMNVSA-N -1 0 342.192 4.579 50 0 EJAARM O=C([O-])c1ccc2ccccc2c1C(=O)c1ccc2ccccc2c1 ZINC000045068529 564076280 /nfs/dbraw/zinc/07/62/80/564076280.db2.gz LQXKPCULMVJMBI-UHFFFAOYSA-N -1 0 326.351 4.922 50 0 EJAARM CC(N=Nc1nc2ccccc2s1)N=Nc1ccc(C(=O)[O-])cc1 ZINC000252630657 564090724 /nfs/dbraw/zinc/09/07/24/564090724.db2.gz VCMUOVONKMRBJR-UHFFFAOYSA-N -1 0 339.380 4.524 50 0 EJAARM CC(C)(C)c1ccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[n-]2)cc1 ZINC000005714877 564093285 /nfs/dbraw/zinc/09/32/85/564093285.db2.gz SZZTVFLZPKFYJV-UHFFFAOYSA-N -1 0 343.430 4.654 50 0 EJAARM O=C([O-])c1cc(-c2cccc(Cl)c2)nc2n[nH]c(-c3ccccc3)c21 ZINC000006748952 564097062 /nfs/dbraw/zinc/09/70/62/564097062.db2.gz LJXFJGYTZLPCEC-UHFFFAOYSA-N -1 0 349.777 4.644 50 0 EJAARM Cc1cccc(-c2cc(C(=O)[O-])c3ccc(Br)cc3n2)c1 ZINC000006860635 564099799 /nfs/dbraw/zinc/09/97/99/564099799.db2.gz OWEJCVOSOOLDTL-UHFFFAOYSA-N -1 0 342.192 4.671 50 0 EJAARM O=C([O-])Cc1sc(-c2cccs2)nc1-c1ccc(Cl)cc1 ZINC000010217541 564111049 /nfs/dbraw/zinc/11/10/49/564111049.db2.gz QYXLBNJWSIOYPE-UHFFFAOYSA-N -1 0 335.837 4.819 50 0 EJAARM O=C([O-])c1c2ccccc2nc2c1CCC/C2=C\c1cccc(O)c1 ZINC000007718291 564122223 /nfs/dbraw/zinc/12/22/23/564122223.db2.gz RBPJEELVFJKSNT-SDNWHVSQSA-N -1 0 331.371 4.516 50 0 EJAARM C[C@@H](Oc1ccc(Oc2ccc3c(Cl)cccc3n2)cc1)C(=O)[O-] ZINC000005370591 564128964 /nfs/dbraw/zinc/12/89/64/564128964.db2.gz YKERTTAGOBHHCX-LLVKDONJSA-N -1 0 343.766 4.532 50 0 EJAARM C[C@H]1CCCC[C@H]1Nc1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000002409185 564134628 /nfs/dbraw/zinc/13/46/28/564134628.db2.gz PSINKMOSZHXTLD-WMLDXEAASA-N -1 0 333.435 4.993 50 0 EJAARM O=C([O-])c1ccc(/C=C\c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000096129525 564145747 /nfs/dbraw/zinc/14/57/47/564145747.db2.gz SKEWXRXWALEMEB-KMKOMSMNSA-N -1 0 325.364 4.818 50 0 EJAARM Cc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc(C)c1O ZINC000057438609 564154266 /nfs/dbraw/zinc/15/42/66/564154266.db2.gz RZJWADZGYMMUSA-ZROIWOOFSA-N -1 0 339.416 4.634 50 0 EJAARM O=c1c(-c2ccc(Cl)cc2)c[n-]n1-c1cccc(C(F)(F)F)c1 ZINC000003133802 564155389 /nfs/dbraw/zinc/15/53/89/564155389.db2.gz WDWNFNKSOZZQOA-UHFFFAOYSA-N -1 0 338.716 4.505 50 0 EJAARM O=C([O-])c1ccccc1SCc1csc(-c2ccccc2)n1 ZINC000003235432 564156419 /nfs/dbraw/zinc/15/64/19/564156419.db2.gz XYEXJJDMMULNNX-UHFFFAOYSA-N -1 0 327.430 4.801 50 0 EJAARM COc1ccc2nc([N-]c3nc4ccc(F)cc4s3)sc2c1 ZINC000004137730 564160853 /nfs/dbraw/zinc/16/08/53/564160853.db2.gz LAORVPQOSFPADQ-UHFFFAOYSA-N -1 0 331.397 4.797 50 0 EJAARM CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1C(=O)[O-] ZINC000004542520 210217869 /nfs/dbraw/zinc/21/78/69/210217869.db2.gz PAKPVCWCWMECHN-UHFFFAOYSA-N -1 0 325.408 4.884 50 0 EJAARM O=C([O-])CCCCCCCCCCNc1ncnc2ccccc21 ZINC000004226166 210146475 /nfs/dbraw/zinc/14/64/75/210146475.db2.gz ZLAIOBRYJZXNBL-UHFFFAOYSA-N -1 0 329.444 4.637 50 0 EJAARM COc1cccc2sc([N-]c3nc4c(cc(F)cc4F)s3)nc21 ZINC000004137653 210130032 /nfs/dbraw/zinc/13/00/32/210130032.db2.gz WGRQIBCWLIQEAQ-UHFFFAOYSA-N -1 0 349.387 4.936 50 0 EJAARM Fc1cccc2sc([N-]c3nnc(-c4ccccc4Cl)o3)nc21 ZINC000004137692 210129838 /nfs/dbraw/zinc/12/98/38/210129838.db2.gz APIYOMZWSZTBMF-UHFFFAOYSA-N -1 0 346.774 4.882 50 0 EJAARM O=C([O-])c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 ZINC000004011096 210100578 /nfs/dbraw/zinc/10/05/78/210100578.db2.gz LRYRYLONUXSKTL-OAQYLSRUSA-N -1 0 342.398 4.741 50 0 EJAARM CCCCOc1ccc(CNc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000043190968 213568319 /nfs/dbraw/zinc/56/83/19/213568319.db2.gz LITOAKWGGREANS-UHFFFAOYSA-N -1 0 333.815 4.829 50 0 EJAARM O=C([O-])CCS[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000003126295 209967906 /nfs/dbraw/zinc/96/79/06/209967906.db2.gz MPMVCERSGGGPIQ-KRWDZBQOSA-N -1 0 348.851 4.862 50 0 EJAARM O=C([O-])c1ccc2ccccc2c1C(=O)c1cccc2ccccc21 ZINC000001599975 209764276 /nfs/dbraw/zinc/76/42/76/209764276.db2.gz RIWKMLGHFLUSHK-UHFFFAOYSA-N -1 0 326.351 4.922 50 0 EJAARM Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)[O-])cc1 ZINC000035673447 213045349 /nfs/dbraw/zinc/04/53/49/213045349.db2.gz MMMJRHXSGZJOHI-UHFFFAOYSA-N -1 0 325.389 4.808 50 0 EJAARM CCc1ccc(OCc2ccccc2-c2nc(C(=O)[O-])cs2)cc1 ZINC000031944107 202214004 /nfs/dbraw/zinc/21/40/04/202214004.db2.gz CSFDLQGKNTWLEG-UHFFFAOYSA-N -1 0 339.416 4.650 50 0 EJAARM Cc1cc2nc(/C=C\c3ccc(OCC(=O)[O-])cc3)sc2cc1C ZINC000035086737 213008592 /nfs/dbraw/zinc/00/85/92/213008592.db2.gz HXUFKEFILVDOEY-YVMONPNESA-N -1 0 339.416 4.547 50 0 EJAARM CCc1cc(C(=O)[O-])c(NC(=O)c2ccc(C(C)(C)C)cc2)s1 ZINC000000348491 209544068 /nfs/dbraw/zinc/54/40/68/209544068.db2.gz DFDSOCARHZNETH-UHFFFAOYSA-N -1 0 331.437 4.559 50 0 EJAARM O=C([O-])c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000000258516 209506676 /nfs/dbraw/zinc/50/66/76/209506676.db2.gz LFWGZXMTCUOPFI-UHFFFAOYSA-N -1 0 326.355 4.662 50 0 in-vitro EJAARM Cc1ccccc1-n1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2 ZINC000005041736 541305334 /nfs/dbraw/zinc/30/53/34/541305334.db2.gz GWBGKTQUCNJBER-UHFFFAOYSA-N -1 0 325.481 4.706 50 0 EJAARM O=C([O-])c1cccc2c1N[C@@H](c1ccccc1)[C@@H](c1ccccc1)N2 ZINC000022115707 212278063 /nfs/dbraw/zinc/27/80/63/212278063.db2.gz CGCADNMILNKOBY-MOPGFXCFSA-N -1 0 330.387 4.705 50 0 EJAARM O=C([O-])c1cccc2c1N[C@@H](c1ccccc1)[C@H](c1ccccc1)N2 ZINC000022115704 212278072 /nfs/dbraw/zinc/27/80/72/212278072.db2.gz CGCADNMILNKOBY-OALUTQOASA-N -1 0 330.387 4.705 50 0 EJAARM Cc1ccc(NC(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])c(C)c1 ZINC000000191337 201446187 /nfs/dbraw/zinc/44/61/87/201446187.db2.gz NOWYTTHLBIVKCF-UHFFFAOYSA-N -1 0 338.190 4.561 50 0 EJAARM COc1ccc2nc([N-]c3nc4ccccc4nc3Cl)sc2c1 ZINC000004744963 201616426 /nfs/dbraw/zinc/61/64/26/201616426.db2.gz DRPKNAZHEMVWKW-UHFFFAOYSA-N -1 0 342.811 4.645 50 0 EJAARM Cc1cc(C)c2oc(-c3ccc([O-])c(Br)c3)cc(=O)c2c1 ZINC000020272618 212115703 /nfs/dbraw/zinc/11/57/03/212115703.db2.gz PKWNUOFSXKEGGT-UHFFFAOYSA-N -1 0 345.192 4.545 50 0 EJAARM Cc1c(C(=O)[O-])sc2ncnc(Nc3ccc(C(C)C)cc3)c12 ZINC000020328422 212119183 /nfs/dbraw/zinc/11/91/83/212119183.db2.gz KBSIMKJTCCUVMD-UHFFFAOYSA-N -1 0 327.409 4.565 50 0 EJAARM Cc1cc2oc(-c3ccccc3)c/c(=N\[C@@H](C(=O)[O-])C(C)C)c2cc1C ZINC000019794076 212069249 /nfs/dbraw/zinc/06/92/49/212069249.db2.gz OCLWLBCRVVJIEH-MFTRDONSSA-N -1 0 349.430 4.727 50 0 EJAARM O=C([O-])CC1(CC(=O)Nc2ccc3sccc3c2)CCCCC1 ZINC000000129694 206207911 /nfs/dbraw/zinc/20/79/11/206207911.db2.gz PGPOKSLHDCLRLU-UHFFFAOYSA-N -1 0 331.437 4.655 50 0 EJAARM Cc1ccc(C)c(Sc2nc(-c3ccccc3)ncc2C(=O)[O-])c1 ZINC000095921785 218450110 /nfs/dbraw/zinc/45/01/10/218450110.db2.gz NLRMWQYCDVSZSX-UHFFFAOYSA-N -1 0 336.416 4.610 50 0 EJAARM Cc1cc(C(C)(C)C)cc(C)c1CSc1nc(CC(=O)[O-])cs1 ZINC000012921145 207264388 /nfs/dbraw/zinc/26/43/88/207264388.db2.gz LNNZVNQQXXOTRW-UHFFFAOYSA-N -1 0 349.521 4.977 50 0 EJAARM CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)[O-])=C[C@H]21 ZINC000005821091 210542487 /nfs/dbraw/zinc/54/24/87/210542487.db2.gz YOVRGSHRZRJTLZ-JKSUJKDBSA-N -1 0 344.451 4.801 50 0 EJAARM CCCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 ZINC000000617393 563359116 /nfs/dbraw/zinc/35/91/16/563359116.db2.gz BMTHLXMNCZUKQV-UHFFFAOYSA-N -1 0 337.857 4.611 50 0 EJAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000000101822 563226267 /nfs/dbraw/zinc/22/62/67/563226267.db2.gz FSUGXSGRKBWMGH-UHFFFAOYSA-N -1 0 344.263 4.665 50 0 EJAARM O=C([O-])c1c2ccccc2nc2c1-c1cc(Cl)ccc1SC2 ZINC000000111000 563229638 /nfs/dbraw/zinc/22/96/38/563229638.db2.gz DPZHWLAQUKZJDO-UHFFFAOYSA-N -1 0 327.792 4.859 50 0 EJAARM COc1ccc2nc([N-]c3nc4ccc(OC)cc4s3)sc2c1 ZINC000000175725 563252643 /nfs/dbraw/zinc/25/26/43/563252643.db2.gz HCSHGAKBJZYRTE-UHFFFAOYSA-N -1 0 343.433 4.667 50 0 EJAARM Cc1oc2ccc(OCc3ccc(F)cc3Cl)cc2c1C(=O)[O-] ZINC000000307888 563278515 /nfs/dbraw/zinc/27/85/15/563278515.db2.gz KTSIOAREDUQAOH-UHFFFAOYSA-N -1 0 334.730 4.811 50 0 EJAARM Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)CCC(=O)[O-])cc2)c1 ZINC000000313207 563281691 /nfs/dbraw/zinc/28/16/91/563281691.db2.gz AVYIQWTXJXPCGL-UHFFFAOYSA-N -1 0 341.407 4.714 50 0 EJAARM O=C(/C=C/c1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC000000552107 563344788 /nfs/dbraw/zinc/34/47/88/563344788.db2.gz MBZMPNGHYYLKTD-VAWYXSNFSA-N -1 0 349.411 4.765 50 0 EJAARM C[C@H](NC(=O)c1ccccc1-c1ccccc1C(=O)[O-])c1ccccc1 ZINC000001230332 563380564 /nfs/dbraw/zinc/38/05/64/563380564.db2.gz DVEKMWVXQDMHNZ-HNNXBMFYSA-N -1 0 345.398 4.543 50 0 EJAARM CCOc1ccccc1-c1cc(C(=O)[O-])c2cccc(Cl)c2n1 ZINC000002526036 563439058 /nfs/dbraw/zinc/43/90/58/563439058.db2.gz IBYXFRLOEDOQTJ-UHFFFAOYSA-N -1 0 327.767 4.652 50 0 EJAARM O=C([O-])[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1c1ccccc1 ZINC000004800607 563511225 /nfs/dbraw/zinc/51/12/25/563511225.db2.gz GZFUVVNXJDDLBT-XBCQCDMNSA-N -1 0 326.395 4.762 50 0 EJAARM CCCn1c(=O)c2c3c(sc2[n-]c1=S)C[C@@H](C(C)(C)C)CC3 ZINC000005925230 563554418 /nfs/dbraw/zinc/55/44/18/563554418.db2.gz MMUNBIZIULBPRB-JTQLQIEISA-N -1 0 336.526 4.682 50 0 EJAARM Cc1sc(-c2cc3ccc([O-])cc3oc2=O)nc1-c1ccc(C)cc1 ZINC000000377807 563991907 /nfs/dbraw/zinc/99/19/07/563991907.db2.gz ZFCWHENYOMPHCR-UHFFFAOYSA-N -1 0 349.411 4.906 50 0 EJAARM Cc1ccc(-c2nc(Nc3ccccc3F)sc2CC(=O)[O-])cc1 ZINC000005023197 563993866 /nfs/dbraw/zinc/99/38/66/563993866.db2.gz IACJAPQPJLVNTH-UHFFFAOYSA-N -1 0 342.395 4.628 50 0 EJAARM CC[C@@H]1CCCCN1c1nc(-c2ccccc2[O-])nc2ccccc21 ZINC000005562110 564005579 /nfs/dbraw/zinc/00/55/79/564005579.db2.gz IEGDVRGHVDVMGS-OAHLLOKOSA-N -1 0 333.435 4.771 50 0 EJAARM O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1[S-] ZINC000000536149 564022166 /nfs/dbraw/zinc/02/21/66/564022166.db2.gz OPXKUOLMWWCFTH-HXUWFJFHSA-N -1 0 348.423 4.756 50 0 EJAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000006453853 564024814 /nfs/dbraw/zinc/02/48/14/564024814.db2.gz VYFDXTJHFAPCFY-ZRDIBKRKSA-N -1 0 334.371 4.525 50 0 EJAARM O=C([O-])c1sc(-c2ccccc2)cc1NC(=O)C1CCCCC1 ZINC000012600643 564060385 /nfs/dbraw/zinc/06/03/85/564060385.db2.gz BHGKQDVGBOCKJL-UHFFFAOYSA-N -1 0 329.421 4.632 50 0 EJAARM Cc1ccc([C@@H](CC(=O)c2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000001397689 564064793 /nfs/dbraw/zinc/06/47/93/564064793.db2.gz WYXQBMOYMYWDLV-CYBMUJFWSA-N -1 0 337.202 4.743 50 0 EJAARM CCCc1ccc(S(=O)(=O)Nc2ccccc2C(C)(C)C)cc1 ZINC000006415682 564085632 /nfs/dbraw/zinc/08/56/32/564085632.db2.gz VIRGGGMOLRIBNX-UHFFFAOYSA-N -1 0 331.481 4.737 50 0 EJAARM CSc1ccc2nc([N-]c3nnc(-c4ccccc4)o3)sc2c1 ZINC000007447998 564108580 /nfs/dbraw/zinc/10/85/80/564108580.db2.gz PAOIMZKZVDMXIZ-UHFFFAOYSA-N -1 0 340.433 4.812 50 0 EJAARM C[C@H](OC(=O)c1cc(Cl)c([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000007780415 564123149 /nfs/dbraw/zinc/12/31/49/564123149.db2.gz JQFYHJGWSTXDRI-QMMMGPOBSA-N -1 0 329.154 4.756 50 0 EJAARM Cc1ccc(-c2cc(C(F)F)nc3sc4c([n-]cnc4=O)c32)s1 ZINC000002732320 564152337 /nfs/dbraw/zinc/15/23/37/564152337.db2.gz VEPMMHPFGAKMSX-UHFFFAOYSA-N -1 0 349.387 4.507 50 0 EJAARM C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc([O-])c(Cl)c2)C2CC2)o1 ZINC000071811818 564175592 /nfs/dbraw/zinc/17/55/92/564175592.db2.gz USWPIBHHGRRSJT-ABAIWWIYSA-N -1 0 345.826 4.567 50 0 EJAARM O=c1cc(-c2ccccc2Cl)[n-]n1-c1nc2ccccc2s1 ZINC000100134576 219092074 /nfs/dbraw/zinc/09/20/74/219092074.db2.gz BEEBUJOVIFEJBW-UHFFFAOYSA-N -1 0 327.796 4.508 50 0 EJAARM O=C([O-])COc1ccccc1[C@@H]1O[C@@H]2CCCC[C@H]2C2=CCCC[C@@H]21 ZINC000004028227 210102971 /nfs/dbraw/zinc/10/29/71/210102971.db2.gz IUZPOFVYQIAPHI-ZOGSBNJCSA-N -1 0 342.435 4.507 50 0 biogenic EJAARM Cc1[n-]n2c(nc(Cc3ccccc3)cc2=O)c1-c1ccc(Cl)cc1 ZINC000102662958 219219874 /nfs/dbraw/zinc/21/98/74/219219874.db2.gz STCLFYXTSYIMBZ-UHFFFAOYSA-N -1 0 349.821 4.655 50 0 EJAARM CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H]1CCC(C(=O)[O-])=C[C@H]21 ZINC000002568061 209869347 /nfs/dbraw/zinc/86/93/47/209869347.db2.gz YOVRGSHRZRJTLZ-HOTGVXAUSA-N -1 0 344.451 4.801 50 0 in-vitro EJAARM COc1cccc(-c2cc(C(=O)[O-])c3ccc(Cl)c(C)c3n2)c1 ZINC000002526029 209864141 /nfs/dbraw/zinc/86/41/41/209864141.db2.gz XIWQXISCPBZRCZ-UHFFFAOYSA-N -1 0 327.767 4.570 50 0 EJAARM CCOc1cc(C(=O)[O-])ccc1OCc1c(Cl)cccc1Cl ZINC000034927117 213000887 /nfs/dbraw/zinc/00/08/87/213000887.db2.gz ZUZCCTJGOSZCRR-UHFFFAOYSA-N -1 0 341.190 4.669 50 0 EJAARM COc1cc(OC)c(C2CCCCC2)cc1C(=O)CCCCC(=O)[O-] ZINC000071770760 215822911 /nfs/dbraw/zinc/82/29/11/215822911.db2.gz CEOCAKPYOKAJEM-UHFFFAOYSA-N -1 0 348.439 4.579 50 0 EJAARM O=C([O-])C/C(=C/c1cccc(C(F)(F)F)c1)c1nc2ccccc2o1 ZINC000032727586 212830577 /nfs/dbraw/zinc/83/05/77/212830577.db2.gz VNOFISKYNVRSLE-WQLSENKSSA-N -1 0 347.292 4.862 50 0 EJAARM CCO[P@@](C)(=O)[C@@H](C(=O)[O-])c1csc2ccc(Cl)cc21 ZINC000082048687 217460621 /nfs/dbraw/zinc/46/06/21/217460621.db2.gz XQUUWINBTHXKLR-CWTRNNRKSA-N -1 0 332.745 4.625 50 0 EJAARM Cc1ccc2nc(-c3ccc(Br)s3)cc(C(=O)[O-])c2c1 ZINC000000373466 206235196 /nfs/dbraw/zinc/23/51/96/206235196.db2.gz PLWOSTOUNYUDHX-UHFFFAOYSA-N -1 0 348.221 4.732 50 0 EJAARM CC(C)c1ccc(O[C@@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000011962101 211276651 /nfs/dbraw/zinc/27/66/51/211276651.db2.gz IGSBLCRDMUDWBG-MRXNPFEDSA-N -1 0 349.224 4.777 50 0 EJAARM Fc1ccccc1-n1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2 ZINC000008997198 211030123 /nfs/dbraw/zinc/03/01/23/211030123.db2.gz QUVPZZSRXOPGFP-UHFFFAOYSA-N -1 0 329.444 4.537 50 0 EJAARM CCc1ccccc1-n1c(=S)[n-]nc1C12CC3CC(CC(C3)C1)C2 ZINC000005041300 210371919 /nfs/dbraw/zinc/37/19/19/210371919.db2.gz CDHWSZFHYGQPBN-UHFFFAOYSA-N -1 0 339.508 4.960 50 0 EJAARM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccc(F)cc1 ZINC000004824973 210289360 /nfs/dbraw/zinc/28/93/60/210289360.db2.gz DRGPXTMDFBWKEG-UHFFFAOYSA-N -1 0 341.363 4.505 50 0 EJAARM O=C([O-])C/C(=C\c1ccc(F)c(F)c1)c1nc2ccccc2s1 ZINC000016411624 518201362 /nfs/dbraw/zinc/20/13/62/518201362.db2.gz IBMOSFNSPJJIDF-YRNVUSSQSA-N -1 0 331.343 4.590 50 0 EJAARM CSc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000002644630 563597783 /nfs/dbraw/zinc/59/77/83/563597783.db2.gz ZUKJRMIPKIOIKW-UHFFFAOYSA-N -1 0 348.276 4.516 50 0 EJAARM O=C([O-])CCNc1cc(Cl)ccc1Oc1ccc(Cl)cc1 ZINC000000058931 563213698 /nfs/dbraw/zinc/21/36/98/563213698.db2.gz IZWZFULJUUBOPD-UHFFFAOYSA-N -1 0 326.179 4.672 50 0 EJAARM O=C([O-])CC1(CC(=O)Nc2cc(Cl)cc(Cl)c2)CCCCC1 ZINC000000087280 563220751 /nfs/dbraw/zinc/22/07/51/563220751.db2.gz YRECACVZEOAHIM-UHFFFAOYSA-N -1 0 344.238 4.747 50 0 EJAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000001126948 563375590 /nfs/dbraw/zinc/37/55/90/563375590.db2.gz DOJCWJFIKVMZOI-UHFFFAOYSA-N -1 0 341.190 4.669 50 0 EJAARM O=C([O-])c1cnc(-c2ccccc2)nc1Sc1ccccc1Cl ZINC000001386412 563384958 /nfs/dbraw/zinc/38/49/58/563384958.db2.gz XRXLIOPCXHGGGZ-UHFFFAOYSA-N -1 0 342.807 4.646 50 0 EJAARM CC(C)c1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000001397645 563386763 /nfs/dbraw/zinc/38/67/63/563386763.db2.gz RFBJKGPGFZFFEW-QGZVFWFLSA-N -1 0 330.811 4.905 50 0 EJAARM CCCCCCc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000002053438 563419706 /nfs/dbraw/zinc/41/97/06/563419706.db2.gz ZTJIGZMNTRKRHK-UHFFFAOYSA-N -1 0 326.392 4.727 50 0 EJAARM O=C([O-])CCCCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002242954 563427732 /nfs/dbraw/zinc/42/77/32/563427732.db2.gz MLTQBOLQPLHJJE-UHFFFAOYSA-N -1 0 342.235 4.552 50 0 EJAARM CCCOc1ccc(CCc2n[n-]c(=S)n2-c2ccccc2)cc1 ZINC000005694943 563545804 /nfs/dbraw/zinc/54/58/04/563545804.db2.gz SMFXJLYFZLRLBK-UHFFFAOYSA-N -1 0 339.464 4.504 50 0 EJAARM Cc1ccc(Oc2c(=O)c3ccc([O-])cc3oc2C(F)(F)F)cc1 ZINC000005730532 563547729 /nfs/dbraw/zinc/54/77/29/563547729.db2.gz JOHQHIAODAVDAN-UHFFFAOYSA-N -1 0 336.265 4.618 50 0 EJAARM O=C([O-])c1ccccc1SCC(=O)c1ccc(Cl)cc1Cl ZINC000006473651 563568854 /nfs/dbraw/zinc/56/88/54/563568854.db2.gz LXQPOOCNLKSNCC-UHFFFAOYSA-N -1 0 341.215 4.667 50 0 EJAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000011864458 563651788 /nfs/dbraw/zinc/65/17/88/563651788.db2.gz DJEIEYVLILZEPZ-UHFFFAOYSA-N -1 0 341.190 4.669 50 0 EJAARM COc1cccc(Oc2nc(-c3ccccc3[O-])nc3ccccc32)c1 ZINC000013121846 563688968 /nfs/dbraw/zinc/68/89/68/563688968.db2.gz HKXJLXFOQGRCMJ-UHFFFAOYSA-N -1 0 344.370 4.803 50 0 EJAARM O=C([O-])c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000017071336 563834214 /nfs/dbraw/zinc/83/42/14/563834214.db2.gz OORCKAGPYLEENA-UHFFFAOYSA-N -1 0 341.219 4.501 50 0 EJAARM O=c1c2ccc([O-])cc2oc(C(F)(F)F)c1-c1cc2ccccc2o1 ZINC000005731731 563863741 /nfs/dbraw/zinc/86/37/41/563863741.db2.gz YDSWAGLKOZSNNP-UHFFFAOYSA-N -1 0 346.260 4.931 50 0 biogenic EJAARM CCCCCOc1cc(C)ccc1S(=O)(=O)[N-]c1ccccc1C ZINC000028252122 563901879 /nfs/dbraw/zinc/90/18/79/563901879.db2.gz FMVWWNJVUYNGLU-UHFFFAOYSA-N -1 0 347.480 4.673 50 0 EJAARM O=C([O-])c1cc(-c2ccc(-c3ccc(F)cc3)o2)nc2ccccc21 ZINC000000075863 563974469 /nfs/dbraw/zinc/97/44/69/563974469.db2.gz QNUJPPMEIZVUHQ-UHFFFAOYSA-N -1 0 333.318 4.999 50 0 EJAARM O=C([O-])c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000000191314 563988173 /nfs/dbraw/zinc/98/81/73/563988173.db2.gz TYIPHQDBCFCNRB-UHFFFAOYSA-N -1 0 344.581 4.597 50 0 EJAARM CCC(=O)Nc1cc(C(=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000000257691 563989586 /nfs/dbraw/zinc/98/95/86/563989586.db2.gz GMIMNABWYADSNC-UHFFFAOYSA-N -1 0 335.812 4.538 50 0 EJAARM O=C([O-])Cn1c2ccccc2nc1SCc1cccc2ccccc21 ZINC000000322387 563991214 /nfs/dbraw/zinc/99/12/14/563991214.db2.gz PDCVEMGVSSMLEN-UHFFFAOYSA-N -1 0 348.427 4.566 50 0 EJAARM CC(C)C[C@H]1CC(=O)Nc2c1sc(C(=O)[O-])c2-c1ccccc1 ZINC000061719145 564000421 /nfs/dbraw/zinc/00/04/21/564000421.db2.gz WMVMNSNBKZSDLC-LBPRGKRZSA-N -1 0 329.421 4.585 50 0 EJAARM C[C@H](Cn1c(=O)c2oc3ccccc3c2[n-]c1=S)c1ccccc1 ZINC000101271819 564019363 /nfs/dbraw/zinc/01/93/63/564019363.db2.gz QFTDYVUSJZMLEW-GFCCVEGCSA-N -1 0 336.416 4.609 50 0 EJAARM O=c1c2oc3ccccc3c2[n-]c(=S)n1CCC1=CCCCC1 ZINC000101271809 564019369 /nfs/dbraw/zinc/01/93/69/564019369.db2.gz HYUSZEDHWIISIA-UHFFFAOYSA-N -1 0 326.421 4.696 50 0 EJAARM Cc1ccc(Cn2c(=O)c3sc4ccccc4c3[n-]c2=S)cc1 ZINC000102723386 564020467 /nfs/dbraw/zinc/02/04/67/564020467.db2.gz RWXAWSKLYPODCN-UHFFFAOYSA-N -1 0 338.457 4.631 50 0 EJAARM O=C([O-])C/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000028495880 564046178 /nfs/dbraw/zinc/04/61/78/564046178.db2.gz RVYJVEHNWOKCBK-XFXZXTDPSA-N -1 0 329.808 4.965 50 0 EJAARM O=C([O-])c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002386306 564065654 /nfs/dbraw/zinc/06/56/54/564065654.db2.gz BYOKJLCIKSFPDU-UHFFFAOYSA-N -1 0 334.371 4.543 50 0 EJAARM O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc([O-])c(Cl)c1 ZINC000084414499 564068089 /nfs/dbraw/zinc/06/80/89/564068089.db2.gz RMNYUSZLWKVEJB-UHFFFAOYSA-N -1 0 331.799 4.619 50 0 EJAARM Cc1ccc(N[C@@H](c2ccc(C(C)C)cc2)[P@@](=O)([O-])O)cc1F ZINC000012947541 564079757 /nfs/dbraw/zinc/07/97/57/564079757.db2.gz QSVQBTGIFVSMHU-QGZVFWFLSA-N -1 0 337.331 4.546 50 0 EJAARM Cc1ccc(C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)[O-])o1 ZINC000075280059 564081480 /nfs/dbraw/zinc/08/14/80/564081480.db2.gz KGDLNNHLCMMXAP-UHFFFAOYSA-N -1 0 341.388 4.575 50 0 EJAARM