smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])COc1ccc(-c2nsc3ccccc32)c(Cl)c1Cl ZINC000028758770 203929087 /nfs/dbraw/zinc/92/90/87/203929087.db2.gz QLVHJGLIWOKCQB-UHFFFAOYSA-N -1 0 354.214 4.734 10 0 FJAERM COc1ccc(C(/C(Cl)=C(\Cl)C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000002144090 204027149 /nfs/dbraw/zinc/02/71/49/204027149.db2.gz UWIUFGYDTQWQIL-WUKNDPDISA-N -1 0 367.228 4.610 10 0 FJAERM CCn1c(C(=O)[O-])ccc1-c1c(Cl)cc(Br)cc1Cl ZINC000036917737 205023647 /nfs/dbraw/zinc/02/36/47/205023647.db2.gz AZHDWCGBVBCAPA-UHFFFAOYSA-N -1 0 363.038 4.943 10 0 FJAERM O=C([O-])c1cc(Cl)nc(Oc2ccc(Cl)cc2Br)c1 ZINC000037373741 205026234 /nfs/dbraw/zinc/02/62/34/205026234.db2.gz COTIDIZNXWGOLW-UHFFFAOYSA-N -1 0 362.994 4.641 10 0 FJAERM CC(C)c1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2cccc(F)c2)n1 ZINC000073683152 205033166 /nfs/dbraw/zinc/03/31/66/205033166.db2.gz WQMKDPXNWHZLMU-UHFFFAOYSA-N -1 0 351.381 4.848 10 0 FJAERM Cc1ccc(S(=O)(=O)Oc2ccc(C3CCCCC3)cc2)cc1C(=O)[O-] ZINC000013074521 211752373 /nfs/dbraw/zinc/75/23/73/211752373.db2.gz LZUUDDSWUDPWBU-UHFFFAOYSA-N -1 0 374.458 4.509 10 0 FJAERM CCCCC(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)[O-])o1 ZINC000226352068 206121736 /nfs/dbraw/zinc/12/17/36/206121736.db2.gz KZMDQYLSYADOKY-UHFFFAOYSA-N -1 0 366.211 4.536 10 0 FJAERM Cc1cccc(C(=O)Nc2cc(Cl)ccc2-c2ccc(C(=O)[O-])o2)c1 ZINC000226356603 206121978 /nfs/dbraw/zinc/12/19/78/206121978.db2.gz FMJZHAGFGHLOPX-UHFFFAOYSA-N -1 0 355.777 4.859 10 0 FJAERM CCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)[O-])SCCO ZINC000144345594 206139456 /nfs/dbraw/zinc/13/94/56/206139456.db2.gz CHQQWSXEHAIOJB-ZWKOTPCHSA-N -1 0 362.576 4.617 10 0 FJAERM Cc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073682783 211688875 /nfs/dbraw/zinc/68/88/75/211688875.db2.gz ZKZURRWLSNOONY-UHFFFAOYSA-N -1 0 374.318 4.961 10 0 FJAERM CCc1c(C)nc(-c2cccc(F)c2)nc1Oc1ccc(C(=O)[O-])cc1 ZINC000073682420 211688499 /nfs/dbraw/zinc/68/84/99/211688499.db2.gz GGPZCYKMCCAKPZ-UHFFFAOYSA-N -1 0 352.365 4.644 10 0 FJAERM CCCCCC(=O)Oc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1 ZINC000022060198 211337046 /nfs/dbraw/zinc/33/70/46/211337046.db2.gz QHOPMOMDTCSQMX-UHFFFAOYSA-N -1 0 352.386 4.651 10 0 in-vitro FJAERM COc1ccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)[O-])cc1 ZINC000020334425 211275761 /nfs/dbraw/zinc/27/57/61/211275761.db2.gz MBZZBZHBNSEKJE-UHFFFAOYSA-N -1 0 367.426 4.683 10 0 FJAERM CC(/C=C(/SCC(=O)Nc1ccc(F)cc1)C(=O)[O-])=C\c1ccccc1 ZINC000015055550 211116515 /nfs/dbraw/zinc/11/65/15/211116515.db2.gz VKFBUCCUTQAJFB-JOEZZVDMSA-N -1 0 371.433 4.569 10 0 FJAERM CC(C)c1ccc(O[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000013604695 211042731 /nfs/dbraw/zinc/04/27/31/211042731.db2.gz DDHFRMARIGSPIH-QGZVFWFLSA-N -1 0 352.352 4.904 10 0 FJAERM CCCCCCOc1c(Br)cc(/C=C/C(=O)[O-])cc1OC ZINC000008019315 210765454 /nfs/dbraw/zinc/76/54/54/210765454.db2.gz XHWUCDXIWLKBQK-BQYQJAHWSA-N -1 0 357.244 4.515 10 0 FJAERM O=C([O-])c1ccc(NC2=NC(=O)SC2=Cc2ccc(Cl)cc2)cc1 ZINC000096889522 222136454 /nfs/dbraw/zinc/13/64/54/222136454.db2.gz CGIPFMKUGMSDAN-NTEUORMPSA-N -1 0 358.806 4.757 10 0 FJAERM COc1cccc2c(CCC(=O)[O-])c(-c3ccc(Br)cc3)[nH]c21 ZINC000616570180 571144941 /nfs/dbraw/zinc/14/49/41/571144941.db2.gz MHBJRIIATKLACC-UHFFFAOYSA-N -1 0 374.234 4.623 10 0 FJAERM COc1ccc2[nH]c(-c3ccc(Br)cc3)c(CCC(=O)[O-])c2c1 ZINC000616572919 571145417 /nfs/dbraw/zinc/14/54/17/571145417.db2.gz XNDCEIUDRABWMR-UHFFFAOYSA-N -1 0 374.234 4.623 10 0 FJAERM Cc1cccc(-c2cc(C(=O)[O-])c3c(n[nH]c3-c3ccc(Cl)cc3)n2)c1 ZINC000006748969 571244801 /nfs/dbraw/zinc/24/48/01/571244801.db2.gz KDZBRBUZMRPKLB-UHFFFAOYSA-N -1 0 363.804 4.952 10 0 FJAERM CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000027638705 571319327 /nfs/dbraw/zinc/31/93/27/571319327.db2.gz CTQQHQGBBMYJPT-WFEAJIPZSA-N -1 0 364.526 4.916 10 0 FJAERM O=C([O-])Cc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000000537869 210249262 /nfs/dbraw/zinc/24/92/62/210249262.db2.gz LZRDDINFIHUVCX-UHFFFAOYSA-N -1 0 354.409 4.833 10 0 in-man FJAERM Cc1cc2c(nc(-c3cccnc3)nc2Nc2cccc(C(=O)[O-])c2)s1 ZINC000072260857 205502904 /nfs/dbraw/zinc/50/29/04/205502904.db2.gz UZUDQBKTBKXOSF-UHFFFAOYSA-N -1 0 362.414 4.504 10 0 FJAERM COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1C(=O)[O-] ZINC000013171807 211773136 /nfs/dbraw/zinc/77/31/36/211773136.db2.gz HBENTUWKYYAZLB-UHFFFAOYSA-N -1 0 361.825 4.597 10 0 FJAERM O=C([O-])COc1cc(-c2ccccc2)nc(Nc2cccc3ccccc32)n1 ZINC000073698122 211690728 /nfs/dbraw/zinc/69/07/28/211690728.db2.gz HGIMQFIMMSWKAD-UHFFFAOYSA-N -1 0 371.396 4.504 10 0 FJAERM Cc1ccccc1C(=O)Nc1cc(-c2ccc(C(=O)[O-])o2)ccc1Cl ZINC000226356088 206122209 /nfs/dbraw/zinc/12/22/09/206122209.db2.gz UQQGNRZTEFBGLW-UHFFFAOYSA-N -1 0 355.777 4.859 10 0 FJAERM CC(C)(C)c1ccc(C(=O)Nc2cc(/C=C/C(=O)[O-])ccc2Cl)cc1 ZINC000226357153 206122304 /nfs/dbraw/zinc/12/23/04/206122304.db2.gz FLGFKLSEPVCCRT-VZUCSPMQSA-N -1 0 357.837 4.988 10 0 FJAERM CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1 ZINC000020334761 206329767 /nfs/dbraw/zinc/32/97/67/206329767.db2.gz DCCKJEXEDQYUKL-DHZHZOJOSA-N -1 0 355.459 4.710 10 0 FJAERM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)CCOc1ccccc1 ZINC000020334000 211275444 /nfs/dbraw/zinc/27/54/44/211275444.db2.gz FXNWVJSCOBZEEP-UHFFFAOYSA-N -1 0 367.426 4.521 10 0 FJAERM Cc1sc(NC(=O)c2cccc(C)c2)c(C(=O)[O-])c1-c1ccccc1 ZINC000020334407 211274700 /nfs/dbraw/zinc/27/47/00/211274700.db2.gz RXKPVUHDGSYKPL-UHFFFAOYSA-N -1 0 351.427 4.982 10 0 FJAERM CCCc1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c([O-])c12 ZINC000014586037 211096361 /nfs/dbraw/zinc/09/63/61/211096361.db2.gz LYJWLIYDNZREPC-UHFFFAOYSA-N -1 0 372.461 4.894 10 0 endogenous,in-man FJAERM CCc1cc(C(=O)[O-])c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)s1 ZINC000020333327 220322529 /nfs/dbraw/zinc/32/25/29/220322529.db2.gz FTGJBYJWHDUGJD-GQCTYLIASA-N -1 0 370.257 4.967 10 0 FJAERM COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(F)(F)F)c2)ccc1Cl ZINC000065355041 221201083 /nfs/dbraw/zinc/20/10/83/221201083.db2.gz IZCJKQGMDBKJDD-UHFFFAOYSA-N -1 0 358.699 4.511 10 0 FJAERM CCC[C@H](Nc1nc(C)nc2sc(C)c(-c3ccccc3)c21)C(=O)[O-] ZINC000082687618 221709508 /nfs/dbraw/zinc/70/95/08/221709508.db2.gz MBSJUABIJMHZFR-AWEZNQCLSA-N -1 0 355.463 4.640 10 0 FJAERM CC(C)(C)OC(=O)Nc1sc(-c2ccccc2Cl)nc1C(=O)[O-] ZINC000091690897 221783683 /nfs/dbraw/zinc/78/36/83/221783683.db2.gz ICIQGZMMIAJWHI-UHFFFAOYSA-N -1 0 354.815 4.509 10 0 FJAERM O=C([O-])c1cc(/C=C\c2ccc(Br)cc2)nc2ccccc21 ZINC000096439009 222120323 /nfs/dbraw/zinc/12/03/23/222120323.db2.gz XHVJCKMXCFSKNT-YFHOEESVSA-N -1 0 354.203 4.866 10 0 FJAERM O=C([O-])c1cncc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1 ZINC000098181182 222230407 /nfs/dbraw/zinc/23/04/07/222230407.db2.gz VYAAVRVLUZEGTC-UHFFFAOYSA-N -1 0 361.184 4.941 10 0 FJAERM O=C([O-])c1ccc(-c2ccc(Cl)nc2)nc1Oc1ccccc1Cl ZINC000098181186 222230677 /nfs/dbraw/zinc/23/06/77/222230677.db2.gz LCLXRVPGODNQHN-UHFFFAOYSA-N -1 0 361.184 4.941 10 0 FJAERM O=C([O-])c1cc(Br)cnc1Nc1cccc(Cl)c1Cl ZINC000104182585 222352334 /nfs/dbraw/zinc/35/23/34/222352334.db2.gz VBBRBIHERBQUKP-UHFFFAOYSA-N -1 0 362.010 4.593 10 0 FJAERM CCc1cc(Nc2cccc(C(=O)[O-])c2)nc(-c2cccc(Cl)c2)n1 ZINC000073683719 523824704 /nfs/dbraw/zinc/82/47/04/523824704.db2.gz HSUOOBLDGTZQLU-UHFFFAOYSA-N -1 0 353.809 4.801 10 0 FJAERM Cc1cccc(C)c1Oc1c(=O)c2ccc([O-])cc2oc1C(F)(F)F ZINC000004227893 204129124 /nfs/dbraw/zinc/12/91/24/204129124.db2.gz IJFDVZXJQXGLNJ-UHFFFAOYSA-N -1 0 350.292 4.927 10 0 FJAERM Cc1nc(COc2c(Cl)cc(Cl)cc2Cl)sc1C(=O)[O-] ZINC000005592649 204217539 /nfs/dbraw/zinc/21/75/39/204217539.db2.gz HLZUMROUNAPMEA-UHFFFAOYSA-N -1 0 352.626 4.689 10 0 FJAERM O=C([O-])c1cc(Nc2ncnc3sc4c(c32)CCCC4)ccc1Cl ZINC000020326258 204720002 /nfs/dbraw/zinc/72/00/02/204720002.db2.gz OIMCKCNYDSKVQQ-UHFFFAOYSA-N -1 0 359.838 4.665 10 0 FJAERM O=C([O-])c1cccc(Nc2cc(-c3cccnc3)nc(-c3ccccc3)n2)c1 ZINC000073683523 205032801 /nfs/dbraw/zinc/03/28/01/205032801.db2.gz VNYPKWGFXURBSB-UHFFFAOYSA-N -1 0 368.396 4.647 10 0 FJAERM O=C([O-])c1cccc(Nc2cc(-c3ccccc3)nc(-c3ccncc3)n2)c1 ZINC000073683654 205032805 /nfs/dbraw/zinc/03/28/05/205032805.db2.gz ZATBSOPNUHXVHI-UHFFFAOYSA-N -1 0 368.396 4.647 10 0 FJAERM CCc1c(C)nc(-c2ccccc2F)nc1Nc1ccc(C(=O)[O-])cc1 ZINC000073683197 205033254 /nfs/dbraw/zinc/03/32/54/205033254.db2.gz RVKGVUMPSUPGHJ-UHFFFAOYSA-N -1 0 351.381 4.595 10 0 FJAERM Cc1nc2scc(-c3ccc(C)c(C)c3)c2c(N[C@@H](C(=O)[O-])C(C)C)n1 ZINC000082687679 205648160 /nfs/dbraw/zinc/64/81/60/205648160.db2.gz ANVFZLLXNMYTIB-QGZVFWFLSA-N -1 0 369.490 4.805 10 0 FJAERM CC[C@@H](C)[C@H](Nc1nc(C)nc2sc(C)c(-c3ccccc3)c21)C(=O)[O-] ZINC000082687630 205648267 /nfs/dbraw/zinc/64/82/67/205648267.db2.gz ZEXFGGFKNIVPTE-DIFFPNOSSA-N -1 0 369.490 4.886 10 0 FJAERM Cc1cccc(C(=O)Nc2ccc(-c3ccc(C(=O)[O-])o3)c(Cl)c2)c1 ZINC000226356390 206121380 /nfs/dbraw/zinc/12/13/80/206121380.db2.gz NMURLVVMALBNLH-UHFFFAOYSA-N -1 0 355.777 4.859 10 0 FJAERM O=C([O-])c1cc(OCc2ccc3ccccc3c2)cc(Br)c1O ZINC000226346550 206122556 /nfs/dbraw/zinc/12/25/56/206122556.db2.gz IUXGHGJVXHQDML-UHFFFAOYSA-N -1 0 373.202 4.585 10 0 FJAERM O=C(Nc1cc(C(F)(F)F)c(F)cc1F)c1cc(Cl)ccc1[O-] ZINC000211832539 206339911 /nfs/dbraw/zinc/33/99/11/206339911.db2.gz FCPKIQLUZCRLSD-UHFFFAOYSA-N -1 0 351.658 4.595 10 0 FJAERM Cc1nc2sc3c(c2c(Nc2ccc(C(=O)[O-])cc2)n1)CC[C@H](C)C3 ZINC000020326787 211274958 /nfs/dbraw/zinc/27/49/58/211274958.db2.gz ZKQZSBPLDJLVJA-JTQLQIEISA-N -1 0 353.447 4.566 10 0 FJAERM CC(C)c1ccc(-c2csc3ncnc(N4CCC[C@H]4C(=O)[O-])c23)cc1 ZINC000020318097 211274570 /nfs/dbraw/zinc/27/45/70/211274570.db2.gz WYJSXOKJZXDHKR-INIZCTEOSA-N -1 0 367.474 4.535 10 0 FJAERM CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3)c2C(=O)[O-])C1 ZINC000004189133 210514272 /nfs/dbraw/zinc/51/42/72/210514272.db2.gz BOXKQUNGQKROGE-CYBMUJFWSA-N -1 0 357.475 4.850 10 0 FJAERM Cc1cc2c(nc(-c3cccnc3)nc2Nc2ccc(C(=O)[O-])cc2)s1 ZINC000072260852 221455688 /nfs/dbraw/zinc/45/56/88/221455688.db2.gz HPRMQULAMRFDHD-UHFFFAOYSA-N -1 0 362.414 4.504 10 0 FJAERM O=C([O-])[C@]1(F)C(F)=C(F)C(F)=C(c2nccs2)[C@]1(F)c1ccccc1 ZINC000098089980 222229572 /nfs/dbraw/zinc/22/95/72/222229572.db2.gz UJFCKICMOGPIEN-HZPDHXFCSA-N -1 0 373.302 4.646 10 0 FJAERM O=C([O-])c1ccc(Nc2cc(Br)ccc2Br)cc1 ZINC000104183572 222351950 /nfs/dbraw/zinc/35/19/50/222351950.db2.gz BMJDXZJSAXVENK-UHFFFAOYSA-N -1 0 371.028 4.653 10 0 FJAERM CC[C@]1(C(=O)[O-])CC2(C[C@H]1NC(=O)OCc1ccccc1)CCCCC2 ZINC000685959858 571142490 /nfs/dbraw/zinc/14/24/90/571142490.db2.gz TTYARPCXKLQJLN-UTKZUKDTSA-N -1 0 359.466 4.507 10 0 FJAERM O=C([O-])/C=C/c1ccc(OCc2cccc(Br)c2)c(Cl)c1 ZINC000110418669 210168173 /nfs/dbraw/zinc/16/81/73/210168173.db2.gz XNGFJOFJCJAHIX-FNORWQNLSA-N -1 0 367.626 4.779 10 0 FJAERM Cc1c(NC(=O)OC(C)(C)C)c(C(=O)[O-])sc1-c1ccc(F)cc1 ZINC000002528646 203917301 /nfs/dbraw/zinc/91/73/01/203917301.db2.gz RZBSWNFKYJVNQM-UHFFFAOYSA-N -1 0 351.399 4.908 10 0 FJAERM CC1(C)C[C@@H](c2cccc(Br)c2)Nc2ccc(C(=O)[O-])cc21 ZINC000091691865 205688047 /nfs/dbraw/zinc/68/80/47/205688047.db2.gz RESYDPFIJYYXEK-INIZCTEOSA-N -1 0 360.251 4.982 10 0 FJAERM O=C([O-])CSc1cc(-c2ccccc2)nc(-c2ccc(Cl)cc2)n1 ZINC000073695765 211690447 /nfs/dbraw/zinc/69/04/47/211690447.db2.gz WCVAWBHUTMSSSE-UHFFFAOYSA-N -1 0 356.834 4.641 10 0 FJAERM Cc1ccccc1C(=O)Nc1ccc(-c2ccc(C(=O)[O-])o2)c(Cl)c1 ZINC000226356374 206122299 /nfs/dbraw/zinc/12/22/99/206122299.db2.gz CWMLUXLQQYHOKI-UHFFFAOYSA-N -1 0 355.777 4.859 10 0 FJAERM O=C([O-])c1nc(-c2cccs2)oc1-c1ccc(Br)cc1 ZINC000019803129 206326085 /nfs/dbraw/zinc/32/60/85/206326085.db2.gz CZRDAIBEUIOLIP-UHFFFAOYSA-N -1 0 350.193 4.531 10 0 FJAERM COc1cccc(C(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)[O-])c1 ZINC000020334422 211275109 /nfs/dbraw/zinc/27/51/09/211275109.db2.gz ZEYLSXVXIIXSDU-UHFFFAOYSA-N -1 0 367.426 4.683 10 0 FJAERM Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000013391247 211032381 /nfs/dbraw/zinc/03/23/81/211032381.db2.gz GDCXYIDSHCKKSL-UHFFFAOYSA-N -1 0 370.792 4.562 10 0 FJAERM Cc1ccc(-c2nc(-c3ccccc3)cc(N3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000073679232 132376774 /nfs/dbraw/zinc/37/67/74/132376774.db2.gz LBNPOUCPFZLQLH-HXUWFJFHSA-N -1 0 373.456 4.563 10 0 FJAERM CCCc1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2cccc(F)c2)n1 ZINC000073683155 521384875 /nfs/dbraw/zinc/38/48/75/521384875.db2.gz DTHRTTKJKPCIPV-UHFFFAOYSA-N -1 0 351.381 4.677 10 0 FJAERM CCc1nc(-c2ccccc2F)nc(Nc2cccc(C(=O)[O-])c2)c1C ZINC000073683617 522149568 /nfs/dbraw/zinc/14/95/68/522149568.db2.gz WJJRXRXYAXHNNK-UHFFFAOYSA-N -1 0 351.381 4.595 10 0 FJAERM Cc1ccc(-c2[nH]c3ccc(Br)cc3c2CCC(=O)[O-])cc1 ZINC000616568991 571145000 /nfs/dbraw/zinc/14/50/00/571145000.db2.gz FSBYMYSHTKQPCM-UHFFFAOYSA-N -1 0 358.235 4.923 10 0 FJAERM O=C([O-])CCc1c2cccc(F)c2[nH]c1-c1ccc(Br)cc1 ZINC000616572575 571145118 /nfs/dbraw/zinc/14/51/18/571145118.db2.gz WUFXAYQOFMPXAD-UHFFFAOYSA-N -1 0 362.198 4.754 10 0 FJAERM CC(C)c1ccc(Nc2nnc(Cc3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000009709636 204379652 /nfs/dbraw/zinc/37/96/52/204379652.db2.gz BZHCRDHGTXKFGF-UHFFFAOYSA-N -1 0 354.841 4.688 10 0 FJAERM O=C([O-])[C@H](Cc1ccc(Br)s1)Cc1ccc(Cl)cc1 ZINC000037528338 205027665 /nfs/dbraw/zinc/02/76/65/205027665.db2.gz JMMXGAGNUPSZNJ-JTQLQIEISA-N -1 0 359.672 4.650 10 0 FJAERM CC(C)c1cc(Nc2ccc(C(=O)[O-])cc2)nc(-c2ccc(F)cc2)n1 ZINC000073683386 205033298 /nfs/dbraw/zinc/03/32/98/205033298.db2.gz ZGSHQCBGTUCZQE-UHFFFAOYSA-N -1 0 351.381 4.848 10 0 FJAERM CCCc1cc(Oc2ccc(C(=O)[O-])cc2)nc(-c2ccc(F)cc2)n1 ZINC000073682857 205033589 /nfs/dbraw/zinc/03/35/89/205033589.db2.gz IELBPTVHFOXLAY-UHFFFAOYSA-N -1 0 352.365 4.726 10 0 FJAERM CC(C)(C)[C@H]1CCc2nc3ccc(Br)cc3c(C(=O)[O-])c2C1 ZINC000040174185 205061647 /nfs/dbraw/zinc/06/16/47/205061647.db2.gz QYJYYXLDHHZLAN-JTQLQIEISA-N -1 0 362.267 4.847 10 0 FJAERM Cc1cccc(OCc2nc3cc(C(=O)[O-])ccc3n2CC(C)C)c1C ZINC000040417641 205070996 /nfs/dbraw/zinc/07/09/96/205070996.db2.gz AJFAOXLVAQCZLA-UHFFFAOYSA-N -1 0 352.434 4.586 10 0 FJAERM O=C([O-])c1cc2oc(-c3ccc(F)cc3)cc2n1Cc1ccc(F)cc1 ZINC000053994390 205195951 /nfs/dbraw/zinc/19/59/51/205195951.db2.gz JQEFMAPWPSSSDH-UHFFFAOYSA-N -1 0 353.324 4.926 10 0 FJAERM 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366.542 4.708 10 0 FJAERM COC(=O)C=C([O-])c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 ZINC000071973855 221391530 /nfs/dbraw/zinc/39/15/30/221391530.db2.gz KMTJAQCXNSDMCI-WEVVVXLNSA-N -1 0 365.816 4.804 10 0 FJAERM CC[C@@]1(C(=O)[O-])CC2(C[C@H]1NC(=O)OCc1ccccc1)CCCCC2 ZINC000685959856 571142508 /nfs/dbraw/zinc/14/25/08/571142508.db2.gz TTYARPCXKLQJLN-DYESRHJHSA-N -1 0 359.466 4.507 10 0 FJAERM O=C([O-])CCc1c2cc(Br)ccc2[nH]c1-c1ccc(F)cc1 ZINC000616568890 571145068 /nfs/dbraw/zinc/14/50/68/571145068.db2.gz DYSRSMNBRJOBHE-UHFFFAOYSA-N -1 0 362.198 4.754 10 0 FJAERM O=C([O-])c1cc(NC(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl ZINC000226321659 209367045 /nfs/dbraw/zinc/36/70/45/209367045.db2.gz UJXMHIZVRBGDGK-UHFFFAOYSA-N -1 0 359.596 4.989 10 0 FJAERM CC(C)c1ccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000013604691 220078510 /nfs/dbraw/zinc/07/85/10/220078510.db2.gz MDVCNGJZGHUFFV-QGZVFWFLSA-N -1 0 352.352 4.904 10 0 FJAERM COc1ccc(Oc2c(C)oc3cc([O-])ccc3c2=O)c(C(C)(C)C)c1 ZINC000004227884 207007880 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C[C@H]1CCc2c(sc(NC(=O)c3c(F)cccc3Cl)c2C(=O)[O-])C1 ZINC000020333780 220322168 /nfs/dbraw/zinc/32/21/68/220322168.db2.gz CQLXGIZMWGGIJQ-QMMMGPOBSA-N -1 0 367.829 4.616 10 0 FJAERM O=C([O-])c1c(-c2ccccc2)csc1NC(=O)c1ccc(F)c(F)c1 ZINC000020334083 220322714 /nfs/dbraw/zinc/32/27/14/220322714.db2.gz YKUGBLVOLOITPK-UHFFFAOYSA-N -1 0 359.353 4.644 10 0 FJAERM CCc1ccc(-c2csc(NC(=O)c3ccccc3)c2C(=O)[O-])cc1 ZINC000020334234 220323048 /nfs/dbraw/zinc/32/30/48/220323048.db2.gz NFXQRBXAXYRLAK-UHFFFAOYSA-N -1 0 351.427 4.928 10 0 FJAERM COC(=O)N([C@@H](C(=O)[O-])c1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000055162007 221061470 /nfs/dbraw/zinc/06/14/70/221061470.db2.gz YGAHWIVCYHLHSN-HXUWFJFHSA-N -1 0 373.408 4.651 10 0 FJAERM O=C([O-])c1cc(-c2cccc(OC(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000065354795 221201249 /nfs/dbraw/zinc/20/12/49/221201249.db2.gz VOLJJUWHBAHARI-UHFFFAOYSA-N -1 0 350.214 4.969 10 0 FJAERM O=C([O-])[C@@H](Oc1ccc2ccccc2c1Br)c1ccccc1 ZINC000019772764 263376063 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